SCHEMBL7053458

SCHEMBL7053458

O=C1Nc2ccc(F)c(C(F)(F)F)c2/C(=N/O)C1=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.34
TGM2 P21980 1/20 0.31
CDK2 P24941 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
SCHEMBL7053459 1.00 CES1 (0.34) CES1TGM2CDK2
SCHEMBL7052248 0.89 LRRK2 (0.32) CES1CDK2
SCHEMBL7052247 0.89 LRRK2 (0.32) CES1CDK2
SCHEMBL7051542 0.84 CES1 (0.50) CES1TGM2
SCHEMBL7048295 0.84 CES1 (0.33) CES1TGM2
SCHEMBL7048297 0.84 CES1 (0.33) CES1TGM2
SCHEMBL7051540 0.84 CES1 (0.50) CES1TGM2
SCHEMBL29699969 0.83 CES1 (0.44) CES1TGM2CDK2
SCHEMBL7054407 0.81 GSK3A (0.31) CES1
SCHEMBL7048375 0.77 KMT2A (0.37) CES1

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 3 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
US-5652368-A NERVOUS SYSTEM DISORDERS, ALZHEIMER'S DISEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-07-29 US disclosed
US-5475007-A Preventing convulsions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-12-12 US disclosed