SCHEMBL7052308

SCHEMBL7052308

CC(=O)ON=C1C(=O)C(=O)Nc2cc(Cl)c(Cl)c([N+](=O)[O-])c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
DCTPP1 Q9H773 2/20 0.34
CES1 P23141 3/20 0.33
ALDH1A1 P00352 1/20 0.31
CCNB2 O95067 2/20 0.30
CDK1 P06493 2/20 0.30
CCNB1 P14635 2/20 0.30
GSK3A P49840 2/20 0.30
GSK3B P49841 2/20 0.30
CDK5 Q00535 2/20 0.30
CDK5R1 Q15078 2/20 0.30
CCNB3 Q8WWL7 2/20 0.30
UCHL3 P15374 1/20 0.30

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
SCHEMBL7050080 0.91 CES1 (0.33) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7054500 0.91 TSHR (0.36) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7050674 0.86 EPAS1 (0.34)
SCHEMBL7053378 0.85 CES1 (0.39) CES1ALDH1A1CCNB2CDK1CCNB1
SCHEMBL7051101 0.84 ALDH1A1 (0.33) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7051070 0.84 MAPT (0.38) TSHRDCTPP1ALDH1A1
SCHEMBL7052515 0.82 CCNB2 (0.30) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7049393 0.82 TSHR (0.36) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7051103 0.82 CCNB2 (0.35) CES1CCNB2CDK1CCNB1GSK3A
SCHEMBL7054393 0.82 TSHR (0.42) TSHRGRIN2DGRIN3BGRIN1GRIN2A

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