SCHEMBL7054938

SCHEMBL7054938

O=C1Nc2c(cc(Br)c(Br)c2[N+](=O)[O-])C(=NO)C1=O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
ALDH3A1 P30838 1/20 0.33
CAPN9 O14815 1/20 0.32
CASP3 P42574 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HSP90AA1 P07900 2/20 0.31
CDK5 Q00535 2/20 0.31
CDK5R1 Q15078 2/20 0.31
MAPT P10636 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 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
SCHEMBL7054934 1.00 ALDH1A1 (0.33) ALDH1A1ALDH2ALDH3A1CAPN9CASP3
SCHEMBL7053801 0.90 ALDH1A1 (0.33) ALDH1A1ALDH2ALDH3A1CA12CA1
SCHEMBL7053794 0.90 ALDH1A1 (0.33) ALDH1A1ALDH2ALDH3A1CA12CA1
SCHEMBL7056649 0.82 CCNB2 (0.35) ALDH1A1ALDH2ALDH3A1CDK5CDK5R1
SCHEMBL7052238 0.79 CAPN9 (0.35) CAPN9CASP3CA12CA1CA2
SCHEMBL7048389 0.79 TSHR (0.42) ALDH1A1CAPN9CASP3HSP90AA1CDK5
SCHEMBL7052234 0.79 CAPN9 (0.35) CAPN9CASP3CA12CA1CA2
SCHEMBL7048387 0.79 TSHR (0.42) ALDH1A1CAPN9CASP3HSP90AA1CDK5
SCHEMBL7053204 0.78 MAPT (0.38) ALDH1A1CA12CA1CA2CA9
SCHEMBL8875193 0.78 CAPN9 (0.34) CAPN9CASP3CA12CA1CA2

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