SCHEMBL3787856

SCHEMBL3787856

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

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.38
DDR1 Q08345 14/20 0.38

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
SCHEMBL3787257 0.90 DDR1 (0.39) NAMPTDDR1
SCHEMBL3788739 0.87 DDR1 (0.37) NAMPTDDR1
SCHEMBL3796983 0.87 DDR1 (0.43) NAMPTDDR1
SCHEMBL3785014 0.84 DDR1 (0.46) NAMPTDDR1
SCHEMBL3790162 0.84 EPHX2 (0.51) DDR1
SCHEMBL3788746 0.83 EPHX2 (0.45) NAMPT
SCHEMBL3788636 0.82 EPHX2 (0.48)
SCHEMBL3790479 0.82 GPR139 (0.41) DDR1
SCHEMBL3789474 0.82 DDR1 (0.41) NAMPTDDR1
SCHEMBL13258550 0.80 EPHX2 (0.34) DDR1

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