SCHEMBL13638697

SCHEMBL13638697

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3ccc4cc5nc[nH]c5cc4c3=O)nc2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.35
POLB P06746 2/20 0.34
FBP1 P09467 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
QPCT Q16769 1/20 0.32
MELK Q14680 1/20 0.32
IDH1 O75874 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31

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
SCHEMBL14113530 0.97 P2RY12 (0.35) P2RY12POLBFBP1SMN1; SMN2NPC1
SCHEMBL9923112 0.92 P2RY12 (0.42) P2RY12POLBFBP1SMN1; SMN2NPC1
SCHEMBL9922866 0.91 P2RY12 (0.37) P2RY12POLBFBP1SMN1; SMN2QPCT
SCHEMBL9922844 0.88 P2RY12 (0.42) P2RY12FBP1SMN1; SMN2NPC1RAB9A
SCHEMBL9922864 0.88 P2RY12 (0.37) P2RY12POLBFBP1SMN1; SMN2QPCT
SCHEMBL12177273 0.86 P2RY12 (0.37) P2RY12POLBFBP1SMN1; SMN2NPC1
SCHEMBL14113533 0.86 P2RY12 (0.39) P2RY12POLBSMN1; SMN2NPC1RAB9A
SCHEMBL14228637 0.85 CHRM5 (0.34) P2RY12FBP1SMN1; SMN2NPC1RAB9A
SCHEMBL9922642 0.83 P2RY12 (0.34) P2RY12POLBSMN1; SMN2NPC1RAB9A
SCHEMBL13182767 0.83 P2RY12 (0.39) P2RY12POLBFBP1SMN1; SMN2NPC1

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