SCHEMBL7054776

SCHEMBL7054776

O=C1Nc2cc(C(F)(F)F)c(F)cc2C(=O)/C1=N/O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.33
CES1 P23141 3/20 0.33
LRRK2 Q5S007 1/20 0.32
AR P10275 2/20 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
SCHEMBL7054778 1.00 GALR3 (0.33) GALR3CES1LRRK2ARGPR3
SCHEMBL7053293 0.89 CES1 (0.35) GALR3CES1ARGPR3
SCHEMBL7053299 0.89 CES1 (0.35) GALR3CES1ARGPR3
SCHEMBL7055749 0.84 CES1 (0.41) GALR3CES1
SCHEMBL7049799 0.84 CES1 (0.45) GALR3CES1AR
SCHEMBL7049797 0.84 CES1 (0.45) GALR3CES1AR
SCHEMBL7055754 0.84 CES1 (0.41) GALR3CES1
SCHEMBL7052536 0.81 TGM2 (0.33) CES1
SCHEMBL7054941 0.76 KMT2A (0.38) GALR3CES1LRRK2
SCHEMBL7049368 0.73 CES1 (0.41) GALR3CES1

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