SCHEMBL13633802

SCHEMBL13633802

CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3C(F)F)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 14/20 0.43
FBP1 P09467 1/20 0.39
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
CCR4 P51679 3/20 0.31
CCR5 P51681 1/20 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
SCHEMBL9922997 0.90 P2RY12 (0.48) P2RY12FBP1MEN1PABPC1KMT2A
SCHEMBL9922690 0.86 P2RY12 (0.46) P2RY12FBP1MEN1PABPC1KMT2A
SCHEMBL13633801 0.86 P2RY12 (0.47) P2RY12FBP1MEN1KMT2AMAPT
SCHEMBL9920086 0.82 P2RY12 (0.54) P2RY12FBP1MEN1KMT2AMAPT
SCHEMBL9922994 0.81 P2RY12 (0.43) P2RY12FBP1MEN1PABPC1KMT2A
SCHEMBL9922990 0.81 P2RY12 (0.51) P2RY12FBP1MEN1PABPC1KMT2A
SCHEMBL9922112 0.80 P2RY12 (0.53) P2RY12FBP1MEN1KMT2AMAPT
SCHEMBL9922730 0.80 P2RY12 (0.48) P2RY12FBP1MEN1KMT2AMAPT
SCHEMBL9922993 0.80 P2RY12 (0.48) P2RY12FBP1MEN1KMT2AMAPT
SCHEMBL9922996 0.80 P2RY12 (0.44) P2RY12FBP1MEN1PABPC1KMT2A

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