SCHEMBL3787484

SCHEMBL3787484

N#Cc1ccc(CNC(=O)c2ccc3nn(Cc4ccccn4)c(=O)n3c2)c(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.39
RIPK1 Q13546 2/20 0.38
HSD17B13 Q7Z5P4 1/20 0.37
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
SCN9A Q15858 2/20 0.35
METTL3 Q86U44 1/20 0.35
BRD4 O60885 1/20 0.35
ALOX5 P09917 1/20 0.35
GPR139 Q6DWJ6 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 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
Hydrochloric Acid SCHEMBL3792564 0.99 EPHX2 (0.39) EPHX2RIPK1HSD17B13ROCK2ROCK1
Sulfuric Acid SCHEMBL3794696 0.97 EPHX2 (0.38) EPHX2RIPK1HSD17B13ROCK2ROCK1
SCHEMBL13257878 0.89 EPHX2 (0.41) EPHX2RIPK1HSD17B13ROCK2ROCK1
SCHEMBL3790116 0.88 EPHX2 (0.47) EPHX2RIPK1HSD17B13ROCK2ROCK1
SCHEMBL3792366 0.87 EPHX2 (0.49) EPHX2ROCK2ROCK1
SCHEMBL3788832 0.85 EPHX2 (0.40) EPHX2RIPK1ROCK2ROCK1METTL3
SCHEMBL3790479 0.84 GPR139 (0.41) EPHX2RIPK1ROCK2ROCK1ALOX5
SCHEMBL3798917 0.84 EPHX2 (0.39) EPHX2RIPK1ROCK2ROCK1ALOX5
SCHEMBL3810168 0.81 CD274 (0.42) EPHX2EGLN1SCN9AKCNH2DRD2
SCHEMBL3788935 0.77 EPHX2 (0.47) EPHX2RIPK1HSD17B13ROCK2ROCK1

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 1 patent. 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