SCHEMBL13638710

SCHEMBL13638710

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(NC5CC5)ccc4c3=O)c(F)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.40
GLA P06280 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPD P32754 3/20 0.36
NOD1 Q9Y239 1/20 0.36
PPARG P37231 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDE7A Q13946 1/20 0.32
KIT P10721 1/20 0.32

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
SCHEMBL9923218 0.93 P2RY12 (0.48) P2RY12GLAMEN1KMT2AHPD
SCHEMBL12177232 0.88 P2RY12 (0.43) P2RY12NOD1PPARG
SCHEMBL9923210 0.88 P2RY12 (0.40) P2RY12GLAMEN1KMT2AHPD
SCHEMBL12177329 0.87 P2RY12 (0.41) P2RY12GLAMEN1KMT2AHPD
SCHEMBL12177247 0.87 GLA (0.52) P2RY12GLAHPDNOD1PPARG
SCHEMBL13638586 0.87 P2RY12 (0.40) P2RY12GLAMEN1KMT2AHPD
SCHEMBL12177248 0.86 P2RY12 (0.40) P2RY12GLAMEN1KMT2AHPD
SCHEMBL13638708 0.86 P2RY12 (0.40) P2RY12GLAMEN1KMT2AHPD
SCHEMBL12177306 0.85 KMT2A (0.39) P2RY12MEN1KMT2ANOD1PPARG
SCHEMBL14113579 0.85 P2RY12 (0.39) P2RY12GLAMEN1KMT2AHPD

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