SCHEMBL3796258

SCHEMBL3796258

Nc1ccc(-c2ccc(CNC(=O)c3ccc4n[nH]c(=O)n4c3)c(OC(F)(F)F)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.43
EPHX2 P34913 4/20 0.41
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
RIPK1 Q13546 8/20 0.38
KLKB1 P03952 2/20 0.37
PDPK1 O15530 1/20 0.36
DDR1 Q08345 2/20 0.36
BTK Q06187 1/20 0.35

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
SCHEMBL3790192 0.93 SCN5A (0.43) SCN5AEPHX2ROCK2ROCK1RIPK1
SCHEMBL13258581 0.86 SCN5A (0.43) SCN5AEPHX2ROCK2ROCK1RIPK1
SCHEMBL3791650 0.83 EPHX2 (0.54) SCN5AEPHX2ROCK2ROCK1RIPK1
SCHEMBL3791622 0.81 EPHX2 (0.51) SCN5AEPHX2ROCK2ROCK1
SCHEMBL3790038 0.81 EPHX2 (0.52) SCN5AEPHX2ROCK2ROCK1RIPK1
SCHEMBL3792943 0.80 EPHX2 (0.42) SCN5AEPHX2ROCK2ROCK1RIPK1
SCHEMBL3785767 0.80 EPHX2 (0.42) SCN5AEPHX2ROCK2ROCK1DDR1
SCHEMBL3787244 0.78 SCN5A (0.40) SCN5AEPHX2ROCK2ROCK1RIPK1
SCHEMBL3789474 0.77 DDR1 (0.41) SCN5ADDR1
SCHEMBL3806316 0.74 KLKB1 (0.40) EPHX2ROCK2ROCK1RIPK1KLKB1

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