SCHEMBL7052801

SCHEMBL7052801

O=C1Nc2cc(C(F)(F)F)cc(Br)c2C(=O)C1=NO

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.35
KDR P35968 1/20 0.31
ACE2 Q9BYF1 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
SCHEMBL7052798 1.00 GALR3 (0.35) GALR3KDRACE2
SCHEMBL7055910 0.90 GALR3 (0.33) GALR3ACE2
SCHEMBL7055909 0.90 GALR3 (0.33) GALR3ACE2
SCHEMBL7054973 0.84 GALR3 (0.36) GALR3KDRACE2
SCHEMBL7054970 0.84 GALR3 (0.36) GALR3KDRACE2
SCHEMBL7053705 0.83 CES1 (0.44) GALR3KDRACE2
SCHEMBL7053708 0.83 CES1 (0.44) GALR3KDRACE2
SCHEMBL7051913 0.81 GALR3 (0.31) GALR3
SCHEMBL8873281 0.81 GALR3 (0.35) GALR3KDRACE2
SCHEMBL8873285 0.81 GALR3 (0.35) GALR3KDRACE2

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