SCHEMBL3787244

SCHEMBL3787244

O=C(NCc1ccc(C#CCO)cc1OC(F)(F)F)c1ccc2n[nH]c(=O)n2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.40
EPHX2 P34913 6/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 1/20 0.38
ALOX5 P09917 1/20 0.36
DDR1 Q08345 4/20 0.36
PPARG P37231 3/20 0.35
RIPK1 Q13546 3/20 0.34
HSD17B13 Q7Z5P4 1/20 0.34
PDPK1 O15530 1/20 0.34
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL3792943 0.89 EPHX2 (0.42) SCN5AEPHX2ROCK2ROCK1ALOX5
SCHEMBL13258581 0.84 SCN5A (0.43) SCN5AEPHX2ROCK2ROCK1DDR1
SCHEMBL3791650 0.84 EPHX2 (0.54) SCN5AEPHX2ROCK2ROCK1DDR1
SCHEMBL3791622 0.82 EPHX2 (0.51) SCN5AEPHX2ROCK2ROCK1
SCHEMBL3790038 0.82 EPHX2 (0.52) SCN5AEPHX2ROCK2ROCK1PPARG
SCHEMBL3785767 0.81 EPHX2 (0.42) SCN5AEPHX2ROCK2ROCK1DDR1
SCHEMBL3790192 0.79 SCN5A (0.43) SCN5AEPHX2ROCK2ROCK1DDR1
SCHEMBL3789474 0.78 DDR1 (0.41) SCN5ADDR1
SCHEMBL3796258 0.78 SCN5A (0.43) SCN5AEPHX2ROCK2ROCK1DDR1
SCHEMBL3788832 0.72 EPHX2 (0.40) EPHX2ROCK2ROCK1ALOX5DDR1

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