SCHEMBL13638386

SCHEMBL13638386

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4ccc(S)cc4c3=O)c(F)c2)s1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.41
HPD P32754 8/20 0.41
GLA P06280 1/20 0.39
NOD1 Q9Y239 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK14 Q16539 1/20 0.35
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
KIT P10721 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL12177321 0.92 P2RY12 (0.50) P2RY12HPDGLANOD1MEN1
SCHEMBL12177247 0.89 GLA (0.52) P2RY12HPDGLANOD1L3MBTL1
SCHEMBL12177276 0.89 P2RY12 (0.40) P2RY12HPDGLANOD1MEN1
SCHEMBL9922358 0.88 P2RY12 (0.45) P2RY12HPDNOD1
SCHEMBL12177329 0.86 P2RY12 (0.41) P2RY12HPDGLANOD1MEN1
SCHEMBL12177090 0.85 MAPK14 (0.38) P2RY12MEN1KMT2AMAPK14BRD4
SCHEMBL13638708 0.85 P2RY12 (0.40) P2RY12HPDGLANOD1MEN1
SCHEMBL9923210 0.85 P2RY12 (0.40) P2RY12HPDGLANOD1MEN1
SCHEMBL12177248 0.85 P2RY12 (0.40) P2RY12HPDGLANOD1MEN1
SCHEMBL12177266 0.85 KMT2A (0.37) P2RY12NOD1MEN1KMT2AL3MBTL1

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