SCHEMBL4284384

SCHEMBL4284384

NC(=O)Nc1cc(C(F)(F)F)no1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.53
MAPK14 Q16539 4/20 0.48
ALDH1A1 P00352 1/20 0.47
IDO1 P14902 3/20 0.40
CNR2 P34972 8/20 0.40
CNR1 P21554 4/20 0.40
RPS6KA2 Q15349 1/20 0.39
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BRAF P15056 1/20 0.37

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
SCHEMBL30950724 0.84 ALDH1A1 (0.50) EPHX2MAPK14ALDH1A1CNR2CNR1
SCHEMBL8764313 0.83 EPHX2 (0.53) EPHX2MAPK14ALDH1A1IDO1CNR2
SCHEMBL5031598 0.83 ALDH1A1 (0.69) MAPK14ALDH1A1CNR2CNR1CYP2C8
SCHEMBL9891929 0.80 EPHX2 (0.51) EPHX2MAPK14ALDH1A1IDO1CNR2
SCHEMBL9891522 0.80 ALDH1A1 (0.53) EPHX2MAPK14ALDH1A1IDO1CNR2
SCHEMBL9892898 0.79 EPHX2 (0.50) EPHX2MAPK14ALDH1A1IDO1CNR2
SCHEMBL30486167 0.78 CNR2 (0.54) MAPK14ALDH1A1CNR2CNR1RPS6KA2
SCHEMBL18884374 0.76 EPHX2 (0.42) EPHX2MAPK14ALDH1A1IDO1CNR2
SCHEMBL5067070 0.74 EPHX2 (0.46) EPHX2MAPK14ALDH1A1IDO1CNR2
SCHEMBL10719716 0.74 EPHX2 (0.52) EPHX2MAPK14ALDH1A1IDO1CNR2

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
EP-2063897-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP claimed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 WO claimed