SCHEMBL12475004

SCHEMBL12475004

CNC(=O)c1ncccc1Oc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 19/20 0.66
RAF1 P04049 1/20 0.66
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL12475017 0.79 EPHX2 (1.00) EPHX2RAF1CA12CA1CA2
SCHEMBL6049774 0.78 ALDH1A1 (0.46)
SCHEMBL5568329 0.74 RAF1 (0.64) EPHX2RAF1CA12CA1CA2
SCHEMBL4265602 0.74 NAMPT (0.48) EPHX2RAF1
SCHEMBL29614703 0.72 MEN1 (0.45)
SCHEMBL12932231 0.72 EPHX2 (1.00) EPHX2CA12CA1CA2CA9
SCHEMBL4252286 0.72 MEN1 (0.45)
SCHEMBL28408407 0.72 KDM4E (0.39)
SCHEMBL4087893 0.72 EPHX2 (0.72) EPHX2
SCHEMBL4010827 0.72 EPHX2 (0.85) EPHX2RAF1CA12CA1CA2

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
EP-2675274-A1 SORAFENIB DERIVATIVES AS sEH INHIBITORS The Regents of the University of California (US) 2013-12-25 EP disclosed
WO-2012112570-A1 SORAFENIB DERIVATIVES AS sEH INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-23 WO disclosed