SCHEMBL14522016

SCHEMBL14522016

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 6/20 0.48
F10 P00742 2/20 0.37
SLC2A1 P11166 1/20 0.33
FBP1 P09467 1/20 0.32
CCR4 P51679 2/20 0.31
ALK Q9UM73 1/20 0.31
FPR1 P21462 1/20 0.30
FPR2 P25090 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5515957 0.93 P2RY12 (0.48) P2RY12F10FBP1CCR4MEN1
SCHEMBL14522008 0.91 P2RY12 (0.51) P2RY12F10FBP1FPR1FPR2
SCHEMBL5511681 0.89 P2RY12 (0.49) P2RY12F10FBP1MEN1MAPT
SCHEMBL5508353 0.88 P2RY12 (0.45) P2RY12F10FBP1CCR4MEN1
SCHEMBL5511624 0.87 P2RY12 (0.47) P2RY12F10FBP1CCR4MEN1
SCHEMBL14522033 0.87 P2RY12 (0.47) P2RY12F10FBP1CCR4FPR1
SCHEMBL14522005 0.87 P2RY12 (0.44) P2RY12F10FBP1MEN1MAPT
SCHEMBL5520241 0.87 P2RY12 (0.58) P2RY12F10FBP1MEN1MAPT
SCHEMBL14522007 0.87 P2RY12 (0.43) P2RY12F10FBP1MEN1MAPT
SCHEMBL5511772 0.86 P2RY12 (0.46) P2RY12F10FBP1CCR4CYP1A2

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