SCHEMBL7052238

SCHEMBL7052238

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAPN9 O14815 1/20 0.35
CASP3 P42574 1/20 0.35
BCHE P06276 1/20 0.33
CES1 P23141 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL7052234 1.00 CAPN9 (0.35) CAPN9CASP3BCHECES1CA12
SCHEMBL8875193 0.94 CAPN9 (0.34) CAPN9CASP3BCHECES1CA12
SCHEMBL8875196 0.94 CAPN9 (0.34) CAPN9CASP3BCHECES1CA12
SCHEMBL7053697 0.90 CA1 (0.33) CAPN9CASP3BCHECES1CA12
SCHEMBL7056832 0.90 CAPN9 (0.35) CAPN9CASP3BCHECES1CA12
SCHEMBL7053698 0.90 CA1 (0.33) CAPN9CASP3BCHECES1CA12
SCHEMBL7056828 0.90 CAPN9 (0.35) CAPN9CASP3BCHECES1CA12
SCHEMBL8873548 0.88 CA1 (0.33) CAPN9CASP3BCHECES1CA12
SCHEMBL8873553 0.88 CA1 (0.33) CAPN9CASP3BCHECES1CA12
SCHEMBL7052732 0.85 CAPN9 (0.32) 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 6 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
EP-0706396-A4 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE OREGON STATE (US) 1998-12-09 EP disclosed
US-5652368-A NERVOUS SYSTEM DISORDERS, ALZHEIMER'S DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-07-29 US disclosed
EP-0706396-A1 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE STATE OF OREGON ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 1996-04-17 EP disclosed
US-5475007-A Preventing convulsions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-12-12 US disclosed
WO-1994027605-A1 1,2,3,4-TETRAHYDROQUINOLINE-2,3,4-TRIONE-3 OR 4-OXIMES AND USE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE, OREGON (US) 1994-12-08 WO disclosed