SCHEMBL13638638

SCHEMBL13638638

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)nn3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.38
TP53 P04637 2/20 0.33
FBP1 P09467 4/20 0.32
CREBBP Q92793 2/20 0.31
BRD4 O60885 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 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
SCHEMBL9922996 0.93 P2RY12 (0.44) P2RY12TP53FBP1MEN1LMNA
SCHEMBL13638637 0.87 P2RY12 (0.36) P2RY12TP53FBP1CREBBPBRD4
SCHEMBL9922994 0.82 P2RY12 (0.43) P2RY12FBP1MEN1LMNAKMT2A
SCHEMBL9922690 0.81 P2RY12 (0.46) P2RY12FBP1MEN1LMNAKMT2A
SCHEMBL13638632 0.81 P2RY12 (0.42) P2RY12TP53CREBBPBRD4MEN1
SCHEMBL13638707 0.80 P2RY12 (0.54) P2RY12TP53FBP1CREBBPBRD4
SCHEMBL9920086 0.79 P2RY12 (0.54) P2RY12FBP1MEN1LMNAKMT2A
SCHEMBL9923273 0.79 P2RY12 (0.43) P2RY12FBP1MEN1LMNAKMT2A
SCHEMBL12177212 0.78 P2RY12 (0.34) P2RY12FBP1CREBBPBRD4MEN1
SCHEMBL13638634 0.78 P2RY12 (0.34) P2RY12FBP1CREBBPMEN1KMT2A

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