SCHEMBL7050508

SCHEMBL7050508

O=C1Nc2cc(F)c(F)c([N+](=O)[O-])c2C(=NO)C1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAPN9 O14815 1/20 0.35
CASP3 P42574 1/20 0.35
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7050506 1.00 CAPN9 (0.35) CAPN9CASP3GRIN2DGRIN3BGRIN1
SCHEMBL8873903 0.94 CAPN9 (0.34) CAPN9CASP3GRIN2DGRIN3BGRIN1
SCHEMBL8873910 0.94 CAPN9 (0.34) CAPN9CASP3GRIN2DGRIN3BGRIN1
SCHEMBL7050523 0.90 CAPN9 (0.32) CAPN9CASP3GRIN2DGRIN3BGRIN1
SCHEMBL7052942 0.90 CAPN9 (0.35) CAPN9CASP3GRIN2DGRIN3BGRIN1
SCHEMBL7052937 0.90 CAPN9 (0.35) CAPN9CASP3GRIN2DGRIN3BGRIN1
SCHEMBL7050520 0.90 CAPN9 (0.32) CAPN9CASP3GRIN2DGRIN3BGRIN1
SCHEMBL8873629 0.88 CAPN9 (0.31) CAPN9CASP3GRIN2DGRIN3BGRIN1
SCHEMBL8873624 0.88 CAPN9 (0.31) CAPN9CASP3GRIN2DGRIN3BGRIN1
SCHEMBL7052832 0.85 CAPN9 (0.32) CAPN9CASP3

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