SCHEMBL14409474

SCHEMBL14409474

O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1)c1cccnc1Cl

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.73
ORAI1 Q96D31 2/20 0.53
TRPC1 P48995 1/20 0.53
TRPC3 Q13507 1/20 0.53
STIM1 Q13586 1/20 0.53
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
ALOX5 P09917 1/20 0.46
TBXAS1 P24557 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
IKBKB O14920 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL4248707 0.90 EPHX2 (0.75) EPHX2MEN1KMT2A
SCHEMBL14409364 0.86 EPHX2 (0.69) EPHX2ORAI1TRPC1TRPC3STIM1
SCHEMBL14409455 0.85 EPHX2 (0.67) EPHX2ORAI1TRPC1TRPC3STIM1
SCHEMBL7323389 0.84 ORAI1 (0.66) EPHX2ORAI1TRPC1TRPC3STIM1
SCHEMBL14409451 0.83 EPHX2 (0.68) EPHX2
SCHEMBL4247416 0.82 EPHX2 (0.79) EPHX2ORAI1TRPC1TRPC3STIM1
SCHEMBL4246198 0.82 EPHX2 (0.77) EPHX2ALDH1A1MAPTRAB9AMEN1
SCHEMBL14409363 0.82 EPHX2 (0.62) EPHX2ORAI1TRPC1TRPC3STIM1
SCHEMBL4254875 0.82 EPHX2 (1.00) EPHX2ORAI1TRPC1TRPC3STIM1
SCHEMBL13702334 0.80 EPHX2 (0.74) EPHX2ORAI1TRPC1TRPC3STIM1

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