SCHEMBL7743932

SCHEMBL7743932

CC(NC(=S)Nc1ccc(NC(=O)c2cscn2)cc1)c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.47
CYP2C9 P11712 7/20 0.43
CYP2C8 P10632 4/20 0.43
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GPR139 Q6DWJ6 2/20 0.41
CYP2D6 P10635 1/20 0.40
F7 P08709 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL7908437 0.93 CYP2C9 (0.43) PDE2ACYP2C9CYP2C8MEN1MAPT
SCHEMBL7078813 0.91 PDE2A (0.43) PDE2ACYP2C9CYP2C8MEN1MAPT
SCHEMBL7743339 0.91 F7 (0.49) PDE2ACYP2C9CYP2C8MEN1MAPT
SCHEMBL7743347 0.88 MEN1 (0.43) MEN1MAPTKMT2ALMNAPOLB
SCHEMBL7743494 0.87 MEN1 (0.53) MEN1MAPTKMT2ALMNAPOLB
SCHEMBL7743905 0.87 KMT2A (0.42) MEN1MAPTKMT2ALMNAPOLB
SCHEMBL7743967 0.85 CYP2C9 (0.47) CYP2C9CYP2C8MEN1MAPTKMT2A
SCHEMBL7908147 0.85 CYP2C9 (0.47) CYP2C9CYP2C8MEN1MAPTKMT2A
SCHEMBL7905383 0.85 CYP2C9 (0.47) CYP2C9CYP2C8MEN1MAPTKMT2A
SCHEMBL7743357 0.85 LMNA (0.41) CYP2C9CYP2C8MEN1MAPTKMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1348446-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups AMERICAN HOME PROD (US) 2002-05-08 CN claimed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US claimed
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
CN-1348446-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups AMERICAN HOME PROD (US) 2002-05-08 CN disclosed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US 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