SCHEMBL3785014

SCHEMBL3785014

O=C(NCc1ccc(S(=O)(=O)C2CC2)cc1OC(F)(F)F)c1ccc2nn(C3CCOCC3)c(=O)n2c1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 5/20 0.46
NAMPT P43490 15/20 0.43

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
SCHEMBL3786977 0.88 EPHX2 (0.47) DDR1
SCHEMBL3808163 0.86 DDR1 (0.45) DDR1
SCHEMBL3796983 0.86 DDR1 (0.43) DDR1NAMPT
SCHEMBL3791950 0.86 ROCK2 (0.47) DDR1
SCHEMBL3795177 0.86 DDR1 (0.43) DDR1NAMPT
SCHEMBL3787257 0.85 DDR1 (0.39) DDR1NAMPT
SCHEMBL3787856 0.84 NAMPT (0.38) DDR1NAMPT
SCHEMBL3788739 0.82 DDR1 (0.37) DDR1NAMPT
SCHEMBL13258576 0.82 DDR1 (0.41) DDR1
SCHEMBL13258575 0.82 DDR1 (0.41) 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