SCHEMBL7786791

SCHEMBL7786791

Cc1cc(NCC(=O)O)c([N+](=O)[O-])cc1F.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HCAR3 P49019 2/20 0.41
LMNA P02545 3/20 0.41
RECQL P46063 1/20 0.40
PKM P14618 1/20 0.39
KAT2B Q92831 2/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.38
ALDH3A1 P30838 1/20 0.38

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
SCHEMBL8091920 0.97 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AHCAR3
SCHEMBL7786790 0.86 LMNA (0.41) ALDH1A1MAPTMEN1KMT2AHCAR3
SCHEMBL7784694 0.83 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AHCAR3
SCHEMBL7786522 0.83 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AHCAR3
SCHEMBL7786717 0.83 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AHCAR3
SCHEMBL7786590 0.83 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AHCAR3
SCHEMBL7786655 0.81 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AHCAR3
SCHEMBL7786592 0.81 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AHCAR3
SCHEMBL7786651 0.81 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AHCAR3
SCHEMBL7784453 0.79 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AHCAR3

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