SCHEMBL7787719

SCHEMBL7787719

CCSc1c(Cl)cc2c(c1[N+](=O)[O-])=NC(=O)C(=O)N=2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.52
GRIN3B O60391 3/20 0.52
GRIN1 Q05586 3/20 0.52
GRIN2A Q12879 3/20 0.52
GRIN2B Q13224 3/20 0.52
GRIN2C Q14957 3/20 0.52
GRIN3A Q8TCU5 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HASPIN Q8TF76 1/20 0.31
LIG1 P18858 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
SCHEMBL7350934 0.77 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6021382 0.77 TSHR (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7351629 0.75 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7351325 0.75 ALDH1A1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7353456 0.74 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7352678 0.72 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7344271 0.70 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7342863 0.69 TSHR (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7350652 0.69 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7779811 0.68 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 7 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
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
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