SCHEMBL3788283

SCHEMBL3788283

N#CCCn1nc2ccc(C(=O)NCc3ccc(Br)cc3OC(F)(F)F)cn2c1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.49
DDR1 Q08345 5/20 0.37
RIPK1 Q13546 5/20 0.36
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 1/20 0.35
GPR139 Q6DWJ6 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 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 0.90 EPHX2 (0.39) EPHX2DDR1RIPK1ROCK2ROCK1
SCHEMBL13257875 0.90 EPHX2 (0.38) EPHX2DDR1RIPK1ROCK2ROCK1
SCHEMBL3790712 0.90 EPHX2 (0.51) EPHX2DDR1RIPK1ROCK2ROCK1
SCHEMBL3790162 0.86 EPHX2 (0.51) EPHX2DDR1RIPK1ROCK2ROCK1
SCHEMBL3788876 0.85 RIPK1 (0.38) EPHX2DDR1RIPK1ROCK2ROCK1
SCHEMBL3710884 0.85 EPHX2 (0.47) EPHX2DDR1ROCK2LMNA
SCHEMBL3788739 0.85 DDR1 (0.37) DDR1
SCHEMBL3788832 0.83 EPHX2 (0.40) EPHX2DDR1RIPK1ROCK2ROCK1
SCHEMBL3788935 0.79 EPHX2 (0.47) EPHX2RIPK1ROCK2ROCK1
SCHEMBL3805799 0.79 DDR1 (0.41) EPHX2DDR1MEN1MAPTKMT2A

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