SCHEMBL13638631

SCHEMBL13638631

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3cnc4c5c(ccc4c3=O)NCC5)nc2)s1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
NLRP3 Q96P20 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
CA14 Q9ULX7 1/20 0.31
USP2 O75604 1/20 0.31
FBP1 P09467 1/20 0.31
NAMPT P43490 1/20 0.31
S1PR4 O95977 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
SCHEMBL9922327 0.92 FBP1 (0.40) P2RY12CA12CA1CA2CA9
SCHEMBL14228359 0.87 P2RY12 (0.35) P2RY12BRD4CREBBPNLRP3CA12
SCHEMBL12177097 0.86 P2RY12 (0.37) P2RY12BRD4CREBBPNLRP3CA12
SCHEMBL9922553 0.83 P2RY12 (0.44) P2RY12MEN1KMT2AFBP1ALDH1A1
SCHEMBL9922745 0.81 P2RY12 (0.41) P2RY12MEN1KMT2AFBP1LMNA
SCHEMBL9922921 0.81 FBP1 (0.41) P2RY12CA12CA1CA2CA9
SCHEMBL9922353 0.80 P2RY12 (0.40) P2RY12MEN1KMT2AFBP1ALDH1A1
SCHEMBL9922099 0.79 P2RY12 (0.44) P2RY12MEN1KMT2AFBP1ALDH1A1
SCHEMBL12177100 0.78 WEE1 (0.34) P2RY12BRD4CREBBPNLRP3CA12
SCHEMBL12177095 0.78 P2RY12 (0.34) P2RY12CA12CA1CA2CA9

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