SCHEMBL13638375

SCHEMBL13638375

CNc1ccc2c(=O)n(-c3c(F)cc(NC(=O)NS(=O)(=O)c4cc(C)c(Cl)s4)cc3F)c(=O)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.56
ERCC1 P07992 1/20 0.34
FEN1 P39748 1/20 0.34
ERCC4 Q92889 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
CA12 O43570 6/20 0.33
CA9 Q16790 6/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 2/20 0.33
FBP1 P09467 2/20 0.32
MAPT P10636 1/20 0.32
PTGER3 P43115 1/20 0.32
IDH1 O75874 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL14228485 0.96 P2RY12 (0.54) P2RY12ERCC1FEN1ERCC4MEN1
SCHEMBL14228360 0.93 P2RY12 (0.52) P2RY12ERCC1FEN1ERCC4MEN1
SCHEMBL12161651 0.93 P2RY12 (0.57) P2RY12ERCC1FEN1ERCC4MEN1
SCHEMBL14228484 0.91 P2RY12 (0.57) P2RY12ERCC1FEN1ERCC4MEN1
SCHEMBL9922966 0.91 P2RY12 (0.55) P2RY12ERCC1FEN1ERCC4MEN1
SCHEMBL12161649 0.90 P2RY12 (0.56) P2RY12ERCC1FEN1ERCC4MEN1
SCHEMBL9922892 0.89 P2RY12 (0.69) P2RY12ERCC1FEN1ERCC4MEN1
SCHEMBL13638380 0.89 P2RY12 (0.53) P2RY12ERCC1FEN1ERCC4MEN1
SCHEMBL12177355 0.89 P2RY12 (0.57) P2RY12ERCC1FEN1ERCC4MEN1
SCHEMBL9922967 0.88 P2RY12 (0.54) P2RY12ERCC1FEN1ERCC4MEN1

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-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed