SCHEMBL14522005

SCHEMBL14522005

CNc1cc2c(cc1F)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(Cl)s3)c(OCCN(C)C)c1)CO2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.44
F10 P00742 1/20 0.36
ROCK2 O75116 8/20 0.33
ROCK1 Q13464 7/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
MAPK14 Q16539 1/20 0.32
FBP1 P09467 1/20 0.32
CDC42BPA Q5VT25 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
CCR3 P51677 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL14522007 0.97 P2RY12 (0.43) P2RY12F10KMT2AMEN1MAPT
SCHEMBL5508353 0.92 P2RY12 (0.45) P2RY12F10KMT2AMEN1MAPT
SCHEMBL5515957 0.90 P2RY12 (0.48) P2RY12F10KMT2AMEN1MAPT
SCHEMBL5514509 0.89 P2RY12 (0.46) P2RY12F10ROCK2KMT2AMEN1
SCHEMBL14522008 0.88 P2RY12 (0.51) P2RY12F10FBP1
SCHEMBL14522016 0.87 P2RY12 (0.48) P2RY12F10KMT2AMEN1MAPT
SCHEMBL5511681 0.86 P2RY12 (0.49) P2RY12F10KMT2AMEN1MAPT
SCHEMBL5511772 0.86 P2RY12 (0.46) P2RY12F10FBP1
SCHEMBL14544539 0.86 ROCK2 (0.32) ROCK2ROCK1HRH3MAPK14CDC42BPA
SCHEMBL14522033 0.86 P2RY12 (0.47) P2RY12F10KMT2AMEN1MAPT

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-7205296-B2 Substituted 2H-1,3-benzoxazin-4(3H)-ones PORTOLA PHARMACEUTICALS, INC. (US) 2007-04-17 US disclosed
US-7205296-B2 Substituted 2H-1,3-benzoxazin-4(3H)-ones PORTOLA PHARMACEUTICALS, INC. (US) 2007-04-17 US disclosed