SCHEMBL7049367

SCHEMBL7049367

CC(=O)ON=C1C(=O)C(=O)Nc2cc(C(F)(F)F)cc(Br)c21

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.32
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP3A4 P08684 1/20 0.30
ESRRA P11474 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
SCHEMBL7051913 0.92 GALR3 (0.31) NOTUM
SCHEMBL7056837 0.87 ALDH1A1 (0.30) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL7052827 0.86 CES1 (0.38) CES1CCNB2CDK1CCNB1GSK3A
SCHEMBL7053797 0.83 KMT2A (0.36) CCNB2CDK1CCNB1CCNB3ALDH1A1
SCHEMBL7048278 0.81 GALR3 (0.32) ALDH1A1MAPTHPGDALOX15HSD17B10
SCHEMBL7055910 0.81 GALR3 (0.33) BCHECES1
SCHEMBL7055909 0.81 GALR3 (0.33) BCHECES1
SCHEMBL7048384 0.80 AURKB (0.31) CES1CCNB2CDK1CCNB1GSK3A
SCHEMBL7050452 0.80 CES1 (0.38) CES1CCNB2CDK1CCNB1GSK3A
SCHEMBL7053093 0.78 CES1 (0.38) NOTUMBCHECES1CCNB2CDK1

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