SCHEMBL6811023

SCHEMBL6811023

COc1cc(OC)c(NC(=S)Nc2ccc(NC(=O)c3cccc(F)c3)cc2)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
MAPT P10636 7/20 0.67
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 6/20 0.58
HPGD P15428 2/20 0.58
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.51
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49

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
SCHEMBL6814057 0.88 MAPT (0.68) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL6816182 0.88 MAPT (0.68) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL6815664 0.88 MAPT (0.68) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL6814375 0.88 MAPT (0.68) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL6814450 0.88 SMN1; SMN2 (0.87) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL6812064 0.88 KDM4E (0.76) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL6815648 0.88 MAPT (0.70) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6815344 0.87 MAPT (0.63) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL6814799 0.87 MAPT (0.78) SMN1; SMN2NPC1RAB9AMAPTCYP1A2
SCHEMBL6819650 0.86 MAPT (0.64) SMN1; SMN2NPC1RAB9AMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1165531-C Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups 2004-09-08 CN disclosed
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-6555561-B2 N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus WYETH 2003-04-29 US 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
CN-1367785-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing substituted phenylenediamine groups AMERICAN HOME PROD (US) 2002-09-04 CN 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-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-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed
US-6255349-B1 PREVENTION REPRODUCTION; VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 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-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034269-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-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES 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