SCHEMBL3785767

SCHEMBL3785767

CS(=O)(=O)c1ccc(CNC(=O)c2ccc3n[nH]c(=O)n3c2)c(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.42
DDR1 Q08345 10/20 0.42
SCN5A Q14524 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
ELANE P08246 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
PPARG P37231 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL3789474 0.88 DDR1 (0.41) DDR1SCN5ANAMPT
SCHEMBL3791622 0.86 EPHX2 (0.51) EPHX2SCN5AROCK2ROCK1
SCHEMBL13258581 0.85 SCN5A (0.43) EPHX2DDR1SCN5ANR1H4ROCK2
SCHEMBL3791650 0.85 EPHX2 (0.54) EPHX2DDR1SCN5AROCK2ROCK1
SCHEMBL3790038 0.83 EPHX2 (0.52) EPHX2SCN5AROCK2ROCK1PPARG
SCHEMBL3792943 0.83 EPHX2 (0.42) EPHX2DDR1SCN5AROCK2ROCK1
SCHEMBL3788311 0.81 DDR1 (0.40) EPHX2DDR1NR1H4ELANEROCK2
SCHEMBL3787244 0.81 SCN5A (0.40) EPHX2DDR1SCN5AROCK2ROCK1
SCHEMBL3790192 0.80 SCN5A (0.43) EPHX2DDR1SCN5AROCK2ROCK1
SCHEMBL3796258 0.80 SCN5A (0.43) EPHX2DDR1SCN5AROCK2ROCK1

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
WO-2010096722-A1 3-OXO-2, 3-DIHYDRO- [1,2, 4] TRIAZOLO [4, 3-A]PYRIDINES AS SOLUBLE EPOXIDE HYDROLASE (SEH) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 WO disclosed
WO-2010096722-A1 3-OXO-2, 3-DIHYDRO- [1,2, 4] TRIAZOLO [4, 3-A]PYRIDINES AS SOLUBLE EPOXIDE HYDROLASE (SEH) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 WO disclosed