SCHEMBL7051891

SCHEMBL7051891

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

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MPI P34949 1/20 0.32
BLM P54132 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GSK3A P49840 2/20 0.31
GSK3B P49841 2/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
AURKC Q9UQB9 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
SCHEMBL7055052 0.92 GSK3A (0.30) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL7052292 0.92 ALDH1A1 (0.31) ALDH1A1POLBGAAMAPTMPI
SCHEMBL7052515 0.85 CCNB2 (0.30) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL7050955 0.84 MAPT (0.39) ALDH1A1POLBGAAMAPTMPI
SCHEMBL7053462 0.84
SCHEMBL7047361 0.82 CAPN9 (0.33) ALDH1A1POLBGAAMAPTMPI
SCHEMBL7047359 0.82 CAPN9 (0.33) ALDH1A1POLBGAAMAPTMPI
SCHEMBL7054500 0.81 TSHR (0.36) ALDH1A1POLBGAAMAPTMPI
SCHEMBL7048255 0.81 CCNB2 (0.35) ALDH1A1POLBGAAMAPTMPI
SCHEMBL7051101 0.81 ALDH1A1 (0.33) ALDH1A1POLBGAAMAPTMPI

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 5 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
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