SCHEMBL7053740

SCHEMBL7053740

O=C1Nc2c(c(Cl)cc(Cl)c2[N+](=O)[O-])/C(=N/O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CES1 P23141 5/20 0.36
DNMT1 P26358 1/20 0.36
GRIN2D O15399 5/20 0.34
GRIN3B O60391 5/20 0.34
GRIN1 Q05586 5/20 0.34
GRIN2A Q12879 5/20 0.34
GRIN2B Q13224 5/20 0.34
GRIN2C Q14957 5/20 0.34
GRIN3A Q8TCU5 5/20 0.34
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CAPN9 O14815 1/20 0.30
CASP3 P42574 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
SCHEMBL7053742 1.00 TSHR (0.40) TSHRALDH1A1CES1DNMT1GRIN2D
SCHEMBL7051987 0.89 TSHR (0.40) TSHRALDH1A1CES1DNMT1GRIN2D
SCHEMBL7051984 0.89 TSHR (0.40) TSHRALDH1A1CES1DNMT1GRIN2D
SCHEMBL7052190 0.82 TSHR (0.34) TSHRALDH1A1CES1DNMT1GRIN2D
SCHEMBL7051539 0.80 TSHR (0.39) TSHRALDH1A1CES1GRIN2DGRIN3B
SCHEMBL7051541 0.80 TSHR (0.39) TSHRALDH1A1CES1GRIN2DGRIN3B
SCHEMBL7055918 0.78 MAPT (0.39) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL7048389 0.77 TSHR (0.42) TSHRALDH1A1CES1DNMT1GRIN2D
SCHEMBL7048387 0.77 TSHR (0.42) TSHRALDH1A1CES1DNMT1GRIN2D
SCHEMBL7054393 0.77 TSHR (0.42) TSHRALDH1A1CES1GRIN2DGRIN3B

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