Suppl Table 2.Xlsx

Panic, G. et al. PLOS Neglected Tropical Diseases 9, PRESENT REPORT e0003962 (2015). % Degeneracy Cpds shared with 1,323 drug set d (SRF) after 72 h Categorization Active Inactive M after 72 h current report Amoxapine 4.54 100 Acriflavinium Hydrochloride 3.61 100 1 1 Amodiaquine Dihydrochloride 3.15 81.82 Aprepitant 2.60 100 Atorvastatin Calcium 3.13 76.92 1 1 Benzalkonium Chloride 3.27 100 1 1 Benzyl Benzoate 3.34 83.33 1 1 Beta-naphthol 3.05 100 Bromhexine 2.58 100 Bromocriptine Mesylate 3.23 61.9 Butylated Hydroxyanisole 3.07 100 Chlormidazole 2.88 62.5 chloroxine 2.50 100 1 1 Clioquinol 3.38 100 Cloxyquin 2.54 100 Compactin, Mevastatin 3.51 100 Cyclandelate 2.47 100 Danazol 2.96 58.82 Desipramine 2.46 100 Dichlorophene, Dichlorophen 2.66 100 1 1 Dicyclomine 3.11 100 Digoxin 2.55 100 Disulfiram 2.75 100 1 1 Docetaxel 2.76 92.31 Ebselen 2.78 100 Erythromycin Propionate 4.08 100 Exemestane 2.94 100 Fenbendazole 2.86 100 Fenofibrate 2.78 55.56 Formoterol 2.53 100 hexetidine 3.00 100 1 1 Isobutamben 4.67 100 Ivermectin 3.10 100 d M ≥ 2.47 and Lisuride 2.51 72.73 % Mebhydrolin Naphthalenesulfonate 3.59 72 degeneracy >50 Medroxyprogesterone 2.91 100 Mitotane 3.10 100 Mitoxantrone 4.67 75 Naftopidil Dihydrochloride, Naftopidil 7.29 70.83 nifuroxazide 2.63 100 1 1 Ouabain 3.14 71.43 perhexiline 2.72 100 1 1 Pitavastatin Calcium 4.97 78.26 primaquine 3.25 91.67 1 1 Proflavine Hemisulfate 2.47 100 Promazine 2.52 100 1 1 Propofol 3.08 100 Pyrvinium Pamoate 2.67 100 1 1 Rapamycin 3.64 68.18 reserpine 2.64 60 1 1 Rimantadine 2.51 100 Salinomycin, Sodium 2.51 100 1 1 Sanguinarine Chloride, Sanguinarine Sulfate 3.45 100 1 1 securinine 2.77 100 1 1 Simvastatin 2.49 100 1 1 suloctidil 2.98 100 1 1 Sunitinib Malate 2.85 100 thioridazine 3.32 100 1 1 Thonzonium Bromide 2.90 69.57 Tilorone 2.93 100 Tioconazole 2.48 100 Triclosan 2.63 100 trifluoperazine 2.60 100 1 1 Triflupromazine Hydrochloride 2.50 100 1 1 Tromethamine 2.52 100 Todralazine Hydrochloride 2.64 66.67 Vilazodone Hydrochloride 2.71 88.89 22 sub- total Yohimbine 3.54 61.54 17 active 5 inactive 77% agreement 2,6-di-t-butyl-4-methylphenol, Butylated 3.51 4.35 Hydroxytoluene 2-methoxyestradiol 2.83 13.33 2-thiouracil 3.33 3.7 3-methyl-1-phenyl-2-pyrazolin-5-one (mci-186), 3.16 5.56 Edaravone Acetylcholine 2.63 17.39 Adenosine Phosphate 3.21 19.05 Adiphenine Hydrochloride 3.03 16 Alfacalcidol 2.59 1.72 Alprenolol Hydrochloride, Alprenolol 3.11 6.06 Altrenogest 3.43 21.05 Amantadine 2.84 15.38 1 1 Aminohydroxybutyric Acid 4.14 5.13 Aminopterin 3.26 0 1 1 Amorolfine 2.52 8.57 Amphotericin B 4.71 6.98 1 1 Aniracetam 2.54 3.57 Antazoline 3.06 22.73 Arecoline Hydrobromide 2.50 2.17 1 1 Artenimol 3.60 6.67 Ascorbic Acid 4.33 0 Atazanavir 3.22 6.25 Azaperone 3.86 0 Azlocillin 4.15 0 Balsalazide 2.56 3.85 Barnidipine 4.12 10 Beclomethasone 4.46 17.78 Benztropine 3.29 10 Benzydamine Hydrochloride 3.91 37.5 Bergapten 3.14 18.18 Betahistine 2.90 10.53 Betaine 2.86 0 Bifonazole 2.76 22.5 Biperiden 2.84 5.45 Bismuth Subsalicylate 3.68 0 Buflomedil, Buflomedil Hydrochloride 4.19 10 Cabergoline 5.23 15.62 Capecitabine 2.47 0 Captopril 3.02 11.11 Carbetapentane Citrate 2.47 7.41 Carmofur 3.78 45.71 Cefotaxime 4.78 8.89 Cefuroxime 3.04 0 Celecoxib 2.66 28 Chenodiol 2.48 19.23 Chloramphenicol 2.71 0 Chloramphenicol Hemisuccinate, 2.64 3.85 Chloramphenicol Sodium Succinate Chlormadinone Acetate 2.49 5.56 1 1 Chloropyramine Hydrochloride 2.89 39.29 Chlorpyrifos 2.65 5 Chlortetracycline 2.90 10.53 Chlorzoxazone 2.52 3.7 Cilnidipine 4.50 25 Cilostazol 2.64 7.14 Cinnarazine 2.63 23.53 1 1 Cinromide 2.67 6.9 Ciprofibrate 2.66 2.38 Cisapride 2.85 10.71 Clobetasol Propionate 2.57 13.16 Clonazepam 4.74 0 1 1 Clonidine 2.79 4.55 Clopidogrel 2.61 11.9 Cloxacillin 2.54 9.09 colchicine 3.04 5.26 1 1 Colforsin 3.95 3.12 Cyclopentolate Hydrochloride 4.95 12 1 1 Cyproheptadine 3.49 28.57 Cysteamine Hydrochloride 2.79 12.5 Dantrolene 2.97 2.63 Dasatinib 2.67 0 Daunorubicin 4.22 25 Decoquinate 2.54 2.38 Deflazacort 2.47 3.57 Delavirdine Mesylate 4.04 15.38 Deracoxib 2.70 2.44 Desoxycorticosterone Acetate 2.57 4.17 Dexbrompheniramine, Dexbrompheniramine 3.21 10.2 Maleate Dexfenfluramine 3.34 0 Dextromethorphan Hydrobromide 4.71 32.43 Desvenlafaxine Succinate 2.47 2.7 Diaveridine 2.89 4.65 Diazoxide 4.47 11.76 Dibucaine 3.55 8 1 1 Diflorasone Diacetate 3.16 0 Dihydroergotamine Methanesulfonate, 4.25 34.78 Dihydroergotamine Mesylate Diltiazem 5.69 22.22 Diltiazem Hydrochloride 4.51 8.7 Diminazene Aceturate 5.17 14.29 Diphenidol 2.53 13.64 Doxazosin 3.45 14.29 Doxepin 3.33 20.51 Doxepin Hydrochloride 3.81 20 1 1 Drofenine Hydrochloride 2.67 40.54 Efaroxan, Efaroxan Hydrochloride 2.76 13.95 Eprobemide 3.63 3.7 Ergonovine 3.23 26.67 Ergonovine Maleate 4.90 19.35 Ergotamine 2.49 0 1 1 Erythrosine Sodium 3.94 9.09 1 1 Estradiol Cypionate 2.61 16 Ethinylestradiol 2.79 13.51 1 1 Ethynodiol Diacetate 2.82 4.26 Etomidate 2.83 6.25 Etoricoxib 2.70 8.82 Famprofazone 2.75 32.26 Fenoldopam Mesylate 2.91 0 Finasteride 3.08 10.53 Flopropione 3.29 0 flunarizine 3.23 26.32 1 1 Flutamide 6.72 5.26 Fulvestrant 3.26 11.11 Glafenine 3.01 13.64 Granisetron 3.30 5.26 Guanfacine Hydrochloride 3.60 2.27 Halcinonide 3.13 3.33 Hydroquinidine 2.80 28.57 Hydroxyamphetamine Hydrobromide 2.99 21.05 Hydroxychloroquine Sulfate 2.52 4.26 Hydroxyzine 3.07 0 Ibandronate Sodium 2.58 0 Idoxuridine 2.49 0 Imatinib, Imatinib Mesylate 3.23 43.48 Imipenem 3.18 0 iodipamide 2.63 10 1 1 Ipriflavone 6.26 11.76 Itopride, Itopride Hydrochloride 2.49 20 d M ≥ 2.47 (% degeneracy Ketamine 3.04 11.11 <50) Ketanserin Tartrate 2.57 4.17 Ketoprofen 3.81 17.24 Labetalol 2.50 13.33 Lansoprazole 2.50 0 Levobunolol 2.58 6.67 Levocarnitine 3.72 15.38 Levocetirizine Dihydrochloride 2.64 7.41 lomerizine 4.64 47.83 1 1 Lomustine 7.24 2.13 Lorazepam 3.51 4.44 Loxoprofen 3.12 2.7 L-phenylephrine 2.59 8.57 Mannitol 2.66 31.58 Melatonin 3.27 15.38 Melengestrol Acetate 3.32 31.03 Mesoridazine Besylate 2.47 2.22 Metaxalone 2.98 4 Methiothepin Mesylate, Metitepine Maleate 3.09 44.83 1 1 Methyltestosterone 3.14 14.29 Methysergide Maleate 3.48 13.64 Mexeneone 2.85 16.22 Minoxidil 3.39 4.76 Mirtazapine 3.09 15.15 Moclobemide 4.74 6.67 Moexipril Hydrochloride 2.47 8.7 Morantel Citrate 2.51 0 Moroxydine Hydrochloride 4.07 3.7 Nanofin 2.51 0 Nefopam 4.07 2.38 Nialamide 7.76 7.69 nicardipine 2.63 6.9 1 1 Nicergoline 3.27 35.29 Nifedipine 2.50 4.17 1 1 Nithiamide 2.93 8.33 Nitrazepam 3.29 7.14 Nitrofurantoin 2.71 0 Norethindrone 2.47 11.43 Norethynodrel 3.51 13.04 Norgestimate 2.98 27.59 Nylidrin 2.96 9.68 Olmesartan 4.54 0 Olmesartan Medoxomil 2.53 10.71 Ondansetron 3.62 10.71 Ornidazole 3.71 3.85 Orphenadrine 2.78 15.79 Oxiconazole 2.60 18.92 Oxymetholone 2.92 6 Panthenol 2.49 12.5 Pentetrazole, Pentylenetetrazol 2.79 11.11 Pergolide 6.20 15 1 1 Perindopril Erbumine 3.39 10 1 1 Phenacetin 2.86 2.56 Phenylpropanolamine 3.58 0 Phthalylsulfathiazole 2.57 4.17 Pidolic Acid 2.89 2.7 Pidotimod 2.64 6.67 Piperacillin Sodium 2.54 2.63 Piperidolate Hydrochloride 3.22 2.94 Pirenperone 3.31 8.33 Pralidoxime Iodide, Pralidoxime Chloride 2.63 2.94 Pramipexole 5.40 9.52 Pizotyline Malate 2.77 12.5 Prasterone 2.85 7.69 Prednicarbate 3.68 6.06 Pregnenolone Succinate 2.72 10 Pridinol 3.29 26.09 Protirelin 2.88 14.29 Proxyphylline 2.95 10 Pyrilamine 3.70 3.7 Pyronaridine Tetraphosphate 3.13 4.88 1 1 Quinidine 2.71 18.52 Quinine Sulfate 2.69 3.85 1 1 Reboxetine Mesylate 2.84 12.5 1 1 Remacemide Hydrochloride 2.65 22.73 Rifampin 2.95 22.22 Ritonavir 2.55 26.32 Salmeterol 3.14 39.29 Saquinavir 3.61 11.11 Sarafloxacin Hydrochloride 2.92 6.52 Sibutramine 2.49 28.57 Solifenacin Succinate 3.66 8.33 Spiperone Hydrochloride, Spiperone 2.57 21.62 Spironolactone 4.26 14.29 Stanozolol 2.48 22.22 Streptomycin Sulfate 2.55 6.45 Sulpiride 2.50 3.7 1 1 Taurine 3.25 5.56 Tazobactam 2.81 13.33 Telithromycin 2.48 0 tenylidone 2.61 22.22 1 1 Tepoxalin 2.58 5.88 Terconazole 2.92 7.69 Testosterone Propionate 2.49 40.62 Tetracaine 3.19 17.86 Thiamphenicol 2.52 2.7 Tolnaftate 3.01 24.14 Tolterodine 2.55 2.38 Toltrazuril 3.15 20 Topiramate 2.52 16.67 Topotecan, Topotecan Hydrochloride 2.64 5.88 Tramadol Hydrochloride 3.12 3.7 1 1 Triamcinolone Diacetate 2.57 3.45 Trihexyphenidyl 2.61 12.24 Trimetozine 2.47 2.78 Tripelennamine 2.98 14.29 Triprolidine Hydrochloride 3.39 46.15 Tropicamide 2.74 12.5 Tryptophan 2.89 16.67 Tulobuterol, Tulobuterol Hydrochloride 2.53 7.14 Tyrothricin 2.80 0 Uk 14,304 2.79 2.33 Urea 2.66 6.67 Valganciclovir Hydrochloride 2.47 12.12 Valproic Acid Sodium, Valproate Sodium 3.29 7.69 Vardenafil Hydrochloride, Vardenafil Citrate 3.70 18.75 Vatalanib Dihydrochloride 5.29 21.43 Vidarabine 3.10 30 Vinblastine Sulfate 2.92 47.62 1 1 Vincristine 2.67 20.83 Vorinostat 2.90 17.14 Xylazine Hydrochloride, Xylazine 3.09 15.38 1 1 Xylometazoline 4.88 23.08 Yohimbine Hydrochloride 3.17 17.24 30 sub-total Zafirlukast 2.83 14.63 14 active 16 inactive 47% agreement (-)-menthol, Levomenthol 2.06 100 Acrisorcin 2.25 100 Afalanine 1.70 100 Alexidine Hydrochloride 2.11 100 1 1 Algestone Acetophenide 2.18 100 Allylisothiocyanate 2.00 100 Amitriptyline 2.38 91.3 1 1 amlodipine 2.05 100 1 1 Amlodipine Besylate 1.87 100 amscarine 1.66 100 Amsulosin 2.16 100 aripiprazole 1.83 100 1 1 Astemizole 1.73 100 Benfluorex Hydrochloride 2.32 100 Benzethonium Chloride 2.09 100 Benzyl Isothiocyanate 1.91 100 Bepridil Hydrochloride 1.55 100 benzoxiquine 2.44 100 1 1 Bithionol 2.32 100 1 1 Bitoscanate 2.16 100 Bleomycin (bleomycin B2 Shown) 2.36 53.57 Bornyl Acetate 2.30 100 Bortezomib 1.73 100 Bronopol 1.99 100 1 1 broxaldine 1.75 100 1 1 Broxyquinoline

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