SCHEMBL7053496

SCHEMBL7053496

O=C1Nc2cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c2/C(=N/O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.35
VEGFA P15692 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KIF11 P52732 5/20 0.33
CES1 P23141 1/20 0.32
CAPN9 O14815 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL7053499 1.00 EPAS1 (0.35) EPAS1VEGFAALDH1A1CYP3A4HPGD
SCHEMBL7049834 0.91 EPAS1 (0.35) EPAS1VEGFAALDH1A1CYP3A4HPGD
SCHEMBL7049838 0.91 EPAS1 (0.35) EPAS1VEGFAALDH1A1CYP3A4HPGD
SCHEMBL7052732 0.89 CAPN9 (0.32) CAPN9CASP3
SCHEMBL7052737 0.89 CAPN9 (0.32) CAPN9CASP3
SCHEMBL7052832 0.87 CAPN9 (0.32) CAPN9CASP3
SCHEMBL7052835 0.87 CAPN9 (0.32) CAPN9CASP3
SCHEMBL7055095 0.85 CAPN9 (0.32) CAPN9CASP3
SCHEMBL7055092 0.85 CAPN9 (0.32) CAPN9CASP3
SCHEMBL7054393 0.84 TSHR (0.42) ALDH1A1TSHRCES1CAPN9CASP3

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