SCHEMBL14409451

SCHEMBL14409451

O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1cccnc1NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.68
KDR P35968 9/20 0.57
ABCB1 P08183 1/20 0.49

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
SCHEMBL14409363 0.86 EPHX2 (0.62) EPHX2KDR
SCHEMBL14409474 0.83 EPHX2 (0.73) EPHX2
SCHEMBL14409357 0.83 EPHX2 (0.58) EPHX2ABCB1
SCHEMBL14409364 0.81 EPHX2 (0.69) EPHX2
SCHEMBL4257145 0.80 EPHX2 (0.71) EPHX2
SCHEMBL14409455 0.79 EPHX2 (0.67) EPHX2
SCHEMBL4256182 0.79 EPHX2 (0.86) EPHX2
SCHEMBL4255865 0.79 EPHX2 (0.76) EPHX2
SCHEMBL13701951 0.78 EPHX2 (0.89) EPHX2
SCHEMBL4251029 0.77 EPHX2 (0.70) EPHX2

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
EP-1406892-B1 PHENYL PYRAZOLE DERIVATIVES AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2007-09-05 EP disclosed