SCHEMBL7053801

SCHEMBL7053801

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
ALDH3A1 P30838 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
MAPT P10636 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 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
SCHEMBL7053794 1.00 ALDH1A1 (0.33) ALDH1A1ALDH2ALDH3A1CA12CA1
SCHEMBL7054934 0.90 ALDH1A1 (0.33) ALDH1A1ALDH2ALDH3A1CA12CA1
SCHEMBL7054938 0.90 ALDH1A1 (0.33) ALDH1A1ALDH2ALDH3A1CA12CA1
SCHEMBL7051530 0.82 CCNB2 (0.35) ALDH1A1ALDH2ALDH3A1CDK5CDK5R1
SCHEMBL7053697 0.79 CA1 (0.33) ALDH1A1CA12CA1CA2CA9
SCHEMBL7053698 0.79 CA1 (0.33) ALDH1A1CA12CA1CA2CA9
SCHEMBL7052182 0.79 TSHR (0.42) ALDH1A1MAPTHSP90AA1CDK5CDK5R1
SCHEMBL7052184 0.79 TSHR (0.42) ALDH1A1MAPTHSP90AA1CDK5CDK5R1
SCHEMBL7047207 0.78 MAPT (0.38) ALDH1A1CA12CA1CA2CA9
SCHEMBL8873548 0.78 CA1 (0.33) ALDH1A1CA12CA1CA2CA9

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