SCHEMBL6814872

SCHEMBL6814872

COc1cc(C)c(Cl)cc1NC(=S)Nc1ccc(NC(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.60
LMNA P02545 6/20 0.59
MAPT P10636 7/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HPGD P15428 3/20 0.57
HTT P42858 3/20 0.57
THRB P10828 1/20 0.57
ALOX12 P18054 1/20 0.57
KMT2A Q03164 5/20 0.55
KDM4E B2RXH2 5/20 0.55
MEN1 O00255 4/20 0.55
GAA P10253 5/20 0.54
POLB P06746 1/20 0.49
EPHX1 P07099 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7939055 0.90 MAPT (0.70) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL7161442 0.88 MAPT (0.58) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL6815957 0.88 MAPT (0.58) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL6811241 0.87 ALDH1A1 (0.68) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL6814921 0.87 ALDH1A1 (0.57) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL6814929 0.86 ALDH1A1 (0.62) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL6819190 0.84 MAPT (0.64) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL6816217 0.84 ALDH1A1 (0.57) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL14496903 0.84 LMNA (0.55) ALDH1A1LMNAMAPTKMT2AKDM4E
SCHEMBL6816016 0.83 MAPT (0.65) ALDH1A1LMNAMAPTCYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6335350-B1 VARICELLA-ZOSTER, HUMAN CYTOMEGALO, EPSTEIN-BARR AND KAPOSI HERPESVIRUS TREATMENT AMERICAN HOME PRODUCTS CORPORATION 2002-01-01 US claimed
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP claimed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO claimed
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
US-6462055-B2 VIRICIDES WYETH 2002-10-08 US disclosed
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
US-6410571-B1 VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2002-06-25 US disclosed
US-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-6407123-B1 VIRICIDES FOR TREATMENT OF HUMAN CYTOMEGALO, EPSTEIN-BARR, VARICELLA-ZOSTER AND KAPOSI*S HERPES VIRAL INFECTIONS AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed