SCHEMBL7048384

SCHEMBL7048384

CC(=O)ON=C1C(=O)C(=O)Nc2ccc(Br)c(C(F)(F)F)c21

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 2/20 0.31
AURKC Q9UQB9 2/20 0.31
AURKA O14965 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
AHR P35869 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
CES1 P23141 1/20 0.30
AGTR1 P30556 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
SCHEMBL7054978 0.91 AGTR1 (0.32) AURKBAURKCAURKACCNB2CDK1
SCHEMBL7054407 0.87 GSK3A (0.31) AURKBAURKCAURKAGSK3AGSK3B
SCHEMBL7053356 0.86 CES1 (0.43) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7048297 0.81 CES1 (0.33) CES1
SCHEMBL7048295 0.81 CES1 (0.33) CES1
SCHEMBL7049367 0.80 NOTUM (0.32) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7048274 0.78 GSK3A (0.31) AURKBAURKCAURKAGSK3AGSK3B
SCHEMBL7054468 0.77 CES1 (0.40) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7048371 0.76 KMT2A (0.36) CCNB2CDK1CCNB1CCNB3
SCHEMBL7053093 0.74 CES1 (0.38) CCNB2CDK1CCNB1GSK3AGSK3B

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