SCHEMBL7053299

SCHEMBL7053299

O=C1Nc2cc(C(F)(F)F)c(F)cc2C(=NO)C1=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.35
TGM2 P21980 2/20 0.31
AR P10275 4/20 0.31
GALR3 O60755 1/20 0.31
GPR3 P46089 1/20 0.31

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
SCHEMBL7053293 1.00 CES1 (0.35) CES1TGM2ARGALR3GPR3
SCHEMBL7054778 0.89 GALR3 (0.33) CES1ARGALR3GPR3
SCHEMBL7054776 0.89 GALR3 (0.33) CES1ARGALR3GPR3
SCHEMBL7049364 0.84 CES1 (0.41) CES1TGM2GALR3
SCHEMBL7051496 0.84 CES1 (0.45) CES1TGM2AR
SCHEMBL7049368 0.84 CES1 (0.41) CES1TGM2GALR3
SCHEMBL7051497 0.84 CES1 (0.45) CES1TGM2AR
SCHEMBL7053898 0.81 TGM2 (0.33) CES1TGM2
SCHEMBL7054714 0.76 KMT2A (0.38) CES1
SCHEMBL7055749 0.73 CES1 (0.41) CES1TGM2GALR3

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