SCHEMBL7056828

SCHEMBL7056828

O=C1Nc2cc(Br)c([N+](=O)[O-])c(Br)c2/C(=N/O)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
CES1 P23141 2/20 0.33
BCHE P06276 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
SCHEMBL7056832 1.00 CAPN9 (0.35) CAPN9CASP3CES1BCHECA12
SCHEMBL7052238 0.90 CAPN9 (0.35) CAPN9CASP3CES1BCHECA12
SCHEMBL7052157 0.90 CA1 (0.33) CAPN9CASP3CES1BCHECA12
SCHEMBL7052234 0.90 CAPN9 (0.35) CAPN9CASP3CES1BCHECA12
SCHEMBL7052154 0.90 CA1 (0.33) CAPN9CASP3CES1BCHECA12
SCHEMBL8875193 0.86 CAPN9 (0.34) CAPN9CASP3CES1BCHECA12
SCHEMBL8875196 0.86 CAPN9 (0.34) CAPN9CASP3CES1BCHECA12
SCHEMBL7053697 0.82 CA1 (0.33) CAPN9CASP3CES1BCHECA12
SCHEMBL7053698 0.82 CA1 (0.33) CAPN9CASP3CES1BCHECA12
SCHEMBL8873548 0.81 CA1 (0.33) CAPN9CASP3CES1BCHECA12

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