SCHEMBL6811060

SCHEMBL6811060

COc1cc(OC)c(NC(=S)Nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
SETD7 Q8WTS6 1/20 0.62
ALDH1A1 P00352 7/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
MEN1 O00255 8/20 0.59
KMT2A Q03164 8/20 0.59
HPGD P15428 2/20 0.58
KDM4E B2RXH2 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
MAPK1 P28482 1/20 0.53

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
SCHEMBL6155611 0.88 MAPT (0.63) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6814057 0.86 MAPT (0.68) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6814375 0.86 MAPT (0.68) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6816182 0.86 MAPT (0.68) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6815664 0.86 MAPT (0.68) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6815648 0.85 MAPT (0.70) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6815685 0.85 ALDH1A1 (0.65) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6811023 0.85 SMN1; SMN2 (0.67) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6811066 0.84 SETD7 (0.57) MAPTSETD7ALDH1A1NPC1RAB9A
SCHEMBL6814799 0.84 MAPT (0.78) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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 43 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-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP 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-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED 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-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-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-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING 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