SCHEMBL13638523

SCHEMBL13638523

CNc1ccc2c(=O)n(-c3c(F)cc(C(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3I)c(=O)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 8/20 0.55
MAPT P10636 4/20 0.32
TP53 P04637 1/20 0.32
ERCC1 P07992 1/20 0.32
FEN1 P39748 1/20 0.32
ERCC4 Q92889 1/20 0.32
MEN1 O00255 4/20 0.31
KMT2A Q03164 4/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
POLB P06746 1/20 0.31
HTR3A P46098 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL9922414 0.94 P2RY12 (0.58) P2RY12MAPTTP53ERCC1FEN1
SCHEMBL12161684 0.94 P2RY12 (0.56) P2RY12MAPTTP53ERCC1FEN1
SCHEMBL9923005 0.89 P2RY12 (0.54) P2RY12MAPTTP53ERCC1FEN1
SCHEMBL9923173 0.89 P2RY12 (0.64) P2RY12MAPTERCC1FEN1ERCC4
SCHEMBL12177292 0.88 P2RY12 (0.49) P2RY12MAPTTP53ERCC1FEN1
SCHEMBL9922413 0.87 P2RY12 (0.59) P2RY12MAPTTP53MEN1KMT2A
SCHEMBL12177343 0.86 P2RY12 (0.48) P2RY12MAPTTP53ERCC1FEN1
SCHEMBL9922999 0.85 P2RY12 (0.55) P2RY12MAPTTP53ERCC1FEN1
SCHEMBL9922892 0.84 P2RY12 (0.69) P2RY12MAPTERCC1FEN1ERCC4
SCHEMBL13635285 0.84 P2RY12 (0.63) P2RY12MAPTTP53MEN1KMT2A

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