SCHEMBL3787257

SCHEMBL3787257

O=C(NCc1ccc(S(=O)(=O)C2CC2)cc1OC(F)(F)F)c1ccc2nn(CCO)c(=O)n2c1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 14/20 0.39
NAMPT P43490 5/20 0.38
EPHX2 P34913 1/20 0.36

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
SCHEMBL3788739 0.91 DDR1 (0.37) DDR1NAMPT
SCHEMBL3796983 0.90 DDR1 (0.43) DDR1NAMPTEPHX2
SCHEMBL3787856 0.90 NAMPT (0.38) DDR1NAMPT
SCHEMBL3788311 0.89 DDR1 (0.40) DDR1NAMPTEPHX2
SCHEMBL3785014 0.85 DDR1 (0.46) DDR1NAMPT
SCHEMBL3790712 0.84 EPHX2 (0.51) DDR1EPHX2
SCHEMBL3789474 0.83 DDR1 (0.41) DDR1NAMPT
SCHEMBL3788290 0.82 EPHX2 (0.46) EPHX2
SCHEMBL3786760 0.82 EPHX2 (0.48) EPHX2
SCHEMBL3788832 0.82 EPHX2 (0.40) DDR1EPHX2

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