SCHEMBL7054970

SCHEMBL7054970

O=C1Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2C(=O)/C1=N/O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.36
KDR P35968 1/20 0.31
CES2 O00748 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
JUN P05412 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL7054973 1.00 GALR3 (0.36) GALR3KDRCES2ACE2JUN
SCHEMBL8873281 0.96 GALR3 (0.35) GALR3KDRCES2ACE2
SCHEMBL8873285 0.96 GALR3 (0.35) GALR3KDRCES2ACE2
SCHEMBL8872624 0.94 GALR3 (0.33) GALR3CES2ACE2JUNNFKB1
SCHEMBL8872627 0.94 GALR3 (0.33) GALR3CES2ACE2JUNNFKB1
SCHEMBL7053305 0.90 GALR3 (0.34) GALR3CES2ACE2JUNNFKB1
SCHEMBL7053298 0.90 GALR3 (0.34) GALR3CES2ACE2JUNNFKB1
SCHEMBL7053708 0.84 CES1 (0.44) GALR3KDRACE2JUNNFKB1
SCHEMBL7053705 0.84 CES1 (0.44) GALR3KDRACE2JUNNFKB1
SCHEMBL7052798 0.84 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 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