SCHEMBL7052835

SCHEMBL7052835

O=C1Nc2cc(C(F)(F)F)c(F)c([N+](=O)[O-])c2C(=NO)C1=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CAPN9 O14815 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL7052832 1.00 CAPN9 (0.32) CAPN9CASP3
SCHEMBL7051686 0.91
SCHEMBL7051689 0.91
SCHEMBL7052732 0.88 CAPN9 (0.32) CAPN9CASP3
SCHEMBL7052737 0.88 CAPN9 (0.32) CAPN9CASP3
SCHEMBL7053496 0.87 EPAS1 (0.35) CAPN9CASP3
SCHEMBL7053499 0.87 EPAS1 (0.35) CAPN9CASP3
SCHEMBL7055095 0.86 CAPN9 (0.32) CAPN9CASP3
SCHEMBL7055092 0.86 CAPN9 (0.32) CAPN9CASP3
SCHEMBL7050506 0.85 CAPN9 (0.35) CAPN9CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706396-B1 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE OREGON STATE (US) 2003-05-02 EP disclosed
US-5652368-A NERVOUS SYSTEM DISORDERS, ALZHEIMER'S DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-07-29 US disclosed
US-5475007-A Preventing convulsions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-12-12 US disclosed