SCHEMBL7784744

SCHEMBL7784744

O=C(O)CNc1cc(Br)c(Cl)cc1[N+](=O)[O-].[NaH]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
MAPT P10636 3/20 0.46
BCL6 P41182 1/20 0.40
BCOR Q6W2J9 1/20 0.40
HCAR3 P49019 4/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CXCR2 P25025 1/20 0.37
PTGDR Q13258 1/20 0.37
APP P05067 1/20 0.36
LMNA P02545 2/20 0.36
PDE7A Q13946 1/20 0.35
PKM P14618 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
SCHEMBL8902920 0.99 ALDH1A1 (0.48) ALDH1A1MAPTBCL6BCORHCAR3
SCHEMBL7784741 0.86 PDE7A (0.38) ALDH1A1MAPTBCL6BCORHCAR3
SCHEMBL28909886 0.84 LMNA (0.44) ALDH1A1MAPTBCL6BCORHCAR3
SCHEMBL7786592 0.83 ALDH1A1 (0.50) ALDH1A1MAPTBCL6BCORHCAR3
SCHEMBL7786590 0.83 ALDH1A1 (0.50) ALDH1A1MAPTHCAR3MEN1KMT2A
SCHEMBL7784694 0.83 ALDH1A1 (0.47) ALDH1A1MAPTBCL6BCORHCAR3
SCHEMBL7784833 0.82 ALDH1A1 (0.46) ALDH1A1MAPTBCL6BCORHCAR3
SCHEMBL7784815 0.82 ALDH1A1 (0.51) ALDH1A1MAPTBCL6BCORHCAR3
SCHEMBL7786651 0.81 ALDH1A1 (0.47) ALDH1A1MAPTBCL6BCORHCAR3
SCHEMBL7786655 0.81 ALDH1A1 (0.47) ALDH1A1MAPTHCAR3MEN1KMT2A

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