SCHEMBL3789474

SCHEMBL3789474

O=C(NCc1ccc(S(=O)(=O)C2CC2)cc1OC(F)(F)F)c1ccc2n[nH]c(=O)n2c1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 12/20 0.41
NAMPT P43490 7/20 0.40
SCN5A Q14524 1/20 0.39

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
SCHEMBL3785767 0.88 EPHX2 (0.42) DDR1NAMPTSCN5A
SCHEMBL13258581 0.83 SCN5A (0.43) DDR1SCN5A
SCHEMBL3791650 0.83 EPHX2 (0.54) DDR1SCN5A
SCHEMBL3787257 0.83 DDR1 (0.39) DDR1NAMPT
SCHEMBL3787856 0.82 NAMPT (0.38) DDR1NAMPT
SCHEMBL3785014 0.81 DDR1 (0.46) DDR1NAMPT
SCHEMBL3791622 0.81 EPHX2 (0.51) SCN5A
SCHEMBL3790038 0.81 EPHX2 (0.52) SCN5A
SCHEMBL3792943 0.80 EPHX2 (0.42) DDR1SCN5A
SCHEMBL3788739 0.80 DDR1 (0.37) DDR1NAMPT

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