SCHEMBL7054500

SCHEMBL7054500

CC(=O)ON=C1C(=O)Nc2cc(Cl)c(Cl)c([N+](=O)[O-])c2C1=O

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
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MPI P34949 1/20 0.31
BLM P54132 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CES1 P23141 1/20 0.31
CCNB2 O95067 2/20 0.30
CDK1 P06493 2/20 0.30
CCNB1 P14635 2/20 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
SCHEMBL7051101 0.91 ALDH1A1 (0.33) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7052308 0.91 TSHR (0.36) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7050911 0.86 EPAS1 (0.34)
SCHEMBL7048302 0.85 CES1 (0.36) CES1CCNB2CDK1CCNB1GSK3A
SCHEMBL7050080 0.84 CES1 (0.33) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7054980 0.84 MAPT (0.38) TSHRDCTPP1ALDH1A1POLBGAA
SCHEMBL7054965 0.82 TSHR (0.36) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7052292 0.82 ALDH1A1 (0.31) ALDH1A1POLBGAAMAPTMPI
SCHEMBL7048255 0.82 CCNB2 (0.35) ALDH1A1POLBGAAMAPTMPI
SCHEMBL7050715 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