SCHEMBL7052986

SCHEMBL7052986

CC(=O)ON=C1C(=O)Nc2cc(C(F)(F)F)c(Cl)cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.38
UCHL3 P15374 4/20 0.33
UCHL1 P09936 4/20 0.33
TGM2 P21980 1/20 0.32
CSF1R P07333 1/20 0.32
NPFFR2 Q9Y5X5 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
HTR2C P28335 3/20 0.31
FLT3 P36888 1/20 0.30
AURKB Q96GD4 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
SCHEMBL7053901 0.91 CES1 (0.38) CES1UCHL3UCHL1TGM2CSF1R
SCHEMBL7052536 0.87 TGM2 (0.33) CES1TGM2
SCHEMBL7054757 0.86 CES1 (0.53) CES1UCHL3UCHL1TGM2CCNB2
SCHEMBL7055737 0.86 CES1 (0.38) CES1TGM2CCNB2CDK1CCNB1
SCHEMBL7050457 0.84 KMT2A (0.38) CES1FLT3AURKB
SCHEMBL7049797 0.81 CES1 (0.45) CES1TGM2CSF1RHTR2CFLT3
SCHEMBL7049799 0.81 CES1 (0.45) CES1TGM2CSF1RHTR2CFLT3
SCHEMBL7053898 0.78 TGM2 (0.33) CES1TGM2
SCHEMBL7053093 0.77 CES1 (0.38) CES1TGM2CCNB2CDK1CCNB1
SCHEMBL7050452 0.77 CES1 (0.38) CES1UCHL3UCHL1TGM2CCNB2

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