SCHEMBL7051530

SCHEMBL7051530

CC(=O)ON=C1C(=O)Nc2c(cc(Br)c(Br)c2[N+](=O)[O-])C1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
ALDH3A1 P30838 1/20 0.32
UCHL1 P09936 2/20 0.31
UCHL3 P15374 2/20 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
SCHEMBL7056649 0.91 CCNB2 (0.35) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7047207 0.84 MAPT (0.38) ALDH1A1
SCHEMBL7054965 0.82 TSHR (0.36) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7048255 0.82 CCNB2 (0.35) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7053794 0.82 ALDH1A1 (0.33) CDK5CDK5R1ALDH1A1ALDH2ALDH3A1
SCHEMBL7053801 0.82 ALDH1A1 (0.33) CDK5CDK5R1ALDH1A1ALDH2ALDH3A1
SCHEMBL7053822 0.78 CCNB2 (0.35) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7051103 0.78 CCNB2 (0.35) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7053204 0.76 MAPT (0.38) ALDH1A1
SCHEMBL7054934 0.75 ALDH1A1 (0.33) CDK5CDK5R1ALDH1A1ALDH2ALDH3A1

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