SCHEMBL7743331

SCHEMBL7743331

CC(NC(=S)Nc1ccc(NC(=O)c2cscn2)cc1)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.47
BRAF P15056 4/20 0.45
KDR P35968 4/20 0.45
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
CYP2C9 P11712 3/20 0.39
CYP2C8 P10632 2/20 0.39
PDE2A O00408 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.37
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37

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
SCHEMBL7745943 0.93 PDE2A (0.46) GRM4BRAFKDRKCNQ3KCNQ2
SCHEMBL7743324 0.91 GRM4 (0.47) GRM4BRAFKDRPDE2AMEN1
SCHEMBL7743318 0.89 MEN1 (0.41) GRM4BRAFKDRCYP2C9CYP2C8
SCHEMBL7743960 0.88 KMT2A (0.44) GRM4BRAFKDRMEN1KMT2A
SCHEMBL7743937 0.86 POLB (0.42) GRM4MEN1KMT2ALMNAPOLB
SCHEMBL7743326 0.85 ALDH1A1 (0.54) GRM4BRAFKDRPDE2AMEN1
SCHEMBL7743967 0.85 CYP2C9 (0.47) GRM4KDRCYP2C9CYP2C8MEN1
SCHEMBL7908147 0.85 CYP2C9 (0.47) GRM4KDRCYP2C9CYP2C8MEN1
SCHEMBL7905383 0.85 CYP2C9 (0.47) GRM4KDRCYP2C9CYP2C8MEN1
SCHEMBL7743357 0.84 LMNA (0.41) GRM4BRAFKDRCYP2C9CYP2C8

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 7 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
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed