SCHEMBL7596154

SCHEMBL7596154

O=C(NCc1ccccc1C(F)(F)F)c1cc([S])cc([AsH2])c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 20/20 0.57
PPARG P37231 9/20 0.51
ALOX5 P09917 1/20 0.47

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
SCHEMBL7588298 0.88 EPHX2 (0.57) EPHX2PPARG
SCHEMBL7588291 0.88 EPHX2 (0.57) EPHX2PPARGALOX5
SCHEMBL7596161 0.86 EPHX2 (0.56) EPHX2PPARGALOX5
SCHEMBL6093549 0.85 EPHX2 (0.57) EPHX2PPARGALOX5
SCHEMBL7147714 0.81 EPHX2 (0.56) EPHX2PPARGALOX5
SCHEMBL7587791 0.81 SMN1; SMN2 (0.57)
SCHEMBL5643051 0.80 EPHX2 (0.79) EPHX2PPARG
SCHEMBL6093617 0.75 EPHX2 (0.57) EPHX2PPARGALOX5
SCHEMBL6093623 0.75 EPHX2 (0.57) EPHX2PPARGALOX5
SCHEMBL28207104 0.75 EPHX2 (0.71) EPHX2PPARGALOX5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001087842-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO claimed