SCHEMBL7055737

SCHEMBL7055737

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.38
BCHE P06276 1/20 0.38
NOTUM Q6P988 1/20 0.33
TGM2 P21980 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32

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
SCHEMBL7053093 0.91 CES1 (0.38) CES1BCHENOTUMTGM2CCNB2
SCHEMBL7052536 0.87 TGM2 (0.33) CES1TGM2
SCHEMBL7052316 0.86 CES1 (0.44) CES1BCHETGM2CCNB2CDK1
SCHEMBL7052986 0.86 CES1 (0.38) CES1TGM2CCNB2CDK1CCNB1
SCHEMBL7054751 0.84 KMT2A (0.38) CES1BCHENOTUMCCNB2CDK1
SCHEMBL7055749 0.81 CES1 (0.41) CES1BCHETGM2
SCHEMBL7055754 0.81 CES1 (0.41) CES1BCHETGM2
SCHEMBL7053898 0.78 TGM2 (0.33) CES1TGM2
SCHEMBL7053901 0.77 CES1 (0.38) CES1TGM2CCNB2CDK1CCNB1
SCHEMBL7051913 0.77 GALR3 (0.31) NOTUMTGM2

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