SCHEMBL7055909

SCHEMBL7055909

O=C1Nc2cc(C(F)(F)F)cc(Br)c2/C(=N/O)C1=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.33
CES1 P23141 4/20 0.33
BCHE P06276 1/20 0.33
TGM2 P21980 1/20 0.31
ACE2 Q9BYF1 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
SCHEMBL7055910 1.00 GALR3 (0.33) GALR3CES1BCHETGM2ACE2
SCHEMBL7052801 0.90 GALR3 (0.35) GALR3ACE2
SCHEMBL7052798 0.90 GALR3 (0.35) GALR3ACE2
SCHEMBL7053305 0.84 GALR3 (0.34) GALR3CES1ACE2
SCHEMBL7053298 0.84 GALR3 (0.34) GALR3CES1ACE2
SCHEMBL8871333 0.83 CES1 (0.45) GALR3CES1TGM2ACE2
SCHEMBL8871331 0.83 CES1 (0.45) GALR3CES1TGM2ACE2
SCHEMBL7049367 0.81 NOTUM (0.32) CES1BCHE
SCHEMBL8872627 0.80 GALR3 (0.33) GALR3CES1ACE2
SCHEMBL8872624 0.80 GALR3 (0.33) GALR3CES1ACE2

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