SCHEMBL7786776

SCHEMBL7786776

O=c1cnc2c([N+](=O)[O-])c(Br)c(Cl)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GRIN2D O15399 11/20 0.41
GRIN3B O60391 11/20 0.41
GRIN1 Q05586 11/20 0.41
GRIN2A Q12879 11/20 0.41
GRIN2B Q13224 11/20 0.41
GRIN2C Q14957 11/20 0.41
GRIN3A Q8TCU5 11/20 0.41
GALR3 O60755 1/20 0.38
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL8903542 0.85 GRIN2D (0.54) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30806787 0.74 ALDH1A1 (0.56) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8874377 0.73 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872578 0.73 GRIN2D (0.45) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19782954 0.72 RPS6KA3 (0.39) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7344865 0.72 GRIN2D (0.72) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9388984 0.69 GRIN2D (0.49) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9037873 0.68 HTT (0.49) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30806819 0.68 ALDH1A1 (0.56) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20309753 0.68 GRIN2D (0.50) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6251903-B1 Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonist COCENSYS, INC. 2001-06-26 US disclosed
US-6147075-A ANALGESICS; PSYCHOLOGICAL DISORDERS COCENSYS, INC. (US) 2000-11-14 US disclosed
EP-0732942-A4 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS COCENSYS INC (US) 2000-03-22 EP disclosed
US-5977107-A Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonists COCENSYS, INC. (US) 1999-11-02 US disclosed
US-5631373-A NERVOUS SYSTEM DISORDERS 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) 1997-05-20 US disclosed
US-5622952-A NERVOUS SYSTEM DISORDERS; ADMINISTERING 1,4-DIHYDROQUINOXALINE-2,3-DIONE 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) 1997-04-22 US disclosed
US-5620979-A TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA OR SURGERY 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) 1997-04-15 US disclosed
EP-0732942-A1 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1996-09-25 EP disclosed
US-5514680-A ANTICONVULSANTS WITH 5,6,7-TRISUBSTITUTED-1,4-DIHYDROQUINOXALINE-2,3-DIONE THE 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 (US) 1996-05-07 US disclosed
WO-1995012417-A1 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1995-05-11 WO disclosed