SCHEMBL7053901

SCHEMBL7053901

CC(=O)ON=C1C(=O)C(=O)Nc2cc(C(F)(F)F)c(Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 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
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
FLT3 P36888 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
SCHEMBL7052986 0.91 CES1 (0.38) CES1UCHL3UCHL1TGM2CSF1R
SCHEMBL7053898 0.87 TGM2 (0.33) CES1TGM2
SCHEMBL7050695 0.86 CES1 (0.53) CES1UCHL3UCHL1TGM2CCNB2
SCHEMBL7053093 0.86 CES1 (0.38) CES1TGM2CCNB2CDK1CCNB1
SCHEMBL7054176 0.84 KMT2A (0.38) CES1ALDH1A1LMNAMAPTFLT3
SCHEMBL7051497 0.81 CES1 (0.45) CES1TGM2CSF1RHTR2CFLT3
SCHEMBL7051496 0.81 CES1 (0.45) CES1TGM2CSF1RHTR2CFLT3
SCHEMBL7052536 0.78 TGM2 (0.33) CES1TGM2
SCHEMBL7052827 0.78 CES1 (0.38) CES1UCHL3UCHL1CCNB2CDK1
SCHEMBL7055737 0.77 CES1 (0.38) CES1TGM2CCNB2CDK1CCNB1

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