SCHEMBL13633812

SCHEMBL13633812

COOOSc1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 7/20 0.44
FBP1 P09467 1/20 0.38
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PABPC1 P11940 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK14 Q16539 3/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
ATM Q13315 2/20 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
SCHEMBL12161305 0.96 P2RY12 (0.44) P2RY12FBP1MAPTKDM4EMEN1
SCHEMBL12161297 0.92 P2RY12 (0.43) P2RY12FBP1MAPTKDM4EMEN1
SCHEMBL9922729 0.89 P2RY12 (0.47) P2RY12FBP1MAPTKDM4EMEN1
SCHEMBL12161362 0.87 FBP1 (0.39) P2RY12FBP1MAPTKDM4EMEN1
SCHEMBL12161392 0.87 P2RY12 (0.40) P2RY12FBP1MAPTKDM4EMEN1
SCHEMBL9922687 0.86 P2RY12 (0.47) P2RY12FBP1MAPTKDM4EMEN1
SCHEMBL12161331 0.85 P2RY12 (0.43) P2RY12FBP1MAPTKDM4EMEN1
SCHEMBL9922095 0.85 P2RY12 (0.48) P2RY12FBP1MAPTMEN1KMT2A
SCHEMBL9922705 0.83 P2RY12 (0.48) P2RY12FBP1MAPTKDM4EMEN1
SCHEMBL12177642 0.83 P2RY12 (0.47) P2RY12FBP1MAPTKDM4EMEN1

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