SCHEMBL13638622

SCHEMBL13638622

CNC(=N)c1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(C)s3)cc1F)C2=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
P2RY12 Q9H244 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM1 Q13255 6/20 0.33
GRM4 Q14833 4/20 0.33
KCNA1 Q09470 4/20 0.33
KCNAB1 Q14722 4/20 0.33
KIT P10721 1/20 0.32
MAPK14 Q16539 2/20 0.30

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
SCHEMBL9922296 0.92 P2RY12 (0.43) P2RY12MEN1KMT2AGRM1MAPK14
SCHEMBL9922378 0.88 MEN1 (0.37) MEN1KMT2AGRM1GRM4MAPK14
SCHEMBL9922176 0.85 BRD4 (0.40) BRD4CREBBPP2RY12MEN1KMT2A
SCHEMBL13638623 0.85 BRD4 (0.39) BRD4CREBBPP2RY12MEN1KMT2A
SCHEMBL9922574 0.85 BRD4 (0.39) BRD4CREBBPP2RY12MEN1KMT2A
SCHEMBL9923125 0.85 GRM1 (0.41) P2RY12MEN1KMT2AGRM1GRM4
SCHEMBL9922576 0.85 BRD4 (0.39) BRD4CREBBPP2RY12MEN1KMT2A
SCHEMBL12177059 0.83 P2RY12 (0.39) BRD4CREBBPP2RY12MEN1KMT2A
SCHEMBL12177057 0.83 P2RY12 (0.42) BRD4CREBBPP2RY12MEN1KMT2A
SCHEMBL12177060 0.82 BRD4 (0.38) BRD4CREBBPP2RY12KCNA1KCNAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed