SCHEMBL3788832

SCHEMBL3788832

N#Cc1ccc(CNC(=O)c2ccc3nn(CCO)c(=O)n3c2)c(OC(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.40
GPR139 Q6DWJ6 3/20 0.38
DDR1 Q08345 2/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 1/20 0.36
AR P10275 2/20 0.35
RIPK1 Q13546 3/20 0.35
METTL3 Q86U44 1/20 0.35
ALOX5 P09917 1/20 0.34
GCGR P47871 1/20 0.34

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
SCHEMBL3798917 0.93 EPHX2 (0.39) EPHX2GPR139DDR1ROCK2ROCK1
SCHEMBL3790479 0.89 GPR139 (0.41) EPHX2GPR139DDR1ROCK2ROCK1
SCHEMBL3810168 0.88 CD274 (0.42) EPHX2DDR1
SCHEMBL3790712 0.87 EPHX2 (0.51) EPHX2GPR139DDR1ROCK2ROCK1
SCHEMBL3788290 0.86 EPHX2 (0.46) EPHX2GPR139ROCK2ROCK1
SCHEMBL3787484 0.85 EPHX2 (0.39) EPHX2GPR139ROCK2ROCK1RIPK1
SCHEMBL3786760 0.85 EPHX2 (0.48) EPHX2ROCK2ROCK1RIPK1
Hydrochloric Acid SCHEMBL3792564 0.84 EPHX2 (0.39) EPHX2GPR139ROCK2ROCK1RIPK1
SCHEMBL3788311 0.84 DDR1 (0.40) EPHX2DDR1ROCK2ROCK1RIPK1
Sulfuric Acid SCHEMBL3794696 0.83 EPHX2 (0.38) EPHX2DDR1ROCK2ROCK1RIPK1

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