SCHEMBL3794448

SCHEMBL3794448

COc1ccc(CNC(=O)c2ccc3nn(CC(N)=O)c(=O)n3c2)c(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.44
GPR139 Q6DWJ6 3/20 0.44
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
KLKB1 P03952 1/20 0.41

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
SCHEMBL3788746 0.89 EPHX2 (0.45) EPHX2GPR139ROCK2ROCK1
SCHEMBL3788290 0.89 EPHX2 (0.46) EPHX2GPR139ROCK2ROCK1KLKB1
SCHEMBL3795518 0.87 EPHX2 (0.44) EPHX2GPR139ROCK2ROCK1
SCHEMBL3811009 0.86 EPHX2 (0.48) EPHX2GPR139ROCK2ROCK1
SCHEMBL3788535 0.85 EPHX2 (0.44) EPHX2ROCK2ROCK1
SCHEMBL13257860 0.85 EPHX2 (0.45) EPHX2ROCK2ROCK1
SCHEMBL3810011 0.84 EPHX2 (0.49) EPHX2
SCHEMBL3792366 0.84 EPHX2 (0.49) EPHX2ROCK2ROCK1
SCHEMBL3787956 0.84 EPHX2 (0.42) EPHX2ROCK2ROCK1
SCHEMBL3787951 0.84 EPHX2 (0.42) EPHX2ROCK2ROCK1

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