SCHEMBL7784833

SCHEMBL7784833

CCc1cc(NCC(=O)O)c([N+](=O)[O-])cc1Cl.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.45
HCAR3 P49019 6/20 0.43
LMNA P02545 2/20 0.40
BCL6 P41182 1/20 0.40
BCOR Q6W2J9 1/20 0.40
PTGDR Q13258 1/20 0.38
KMT2A Q03164 1/20 0.38
PGK1 P00558 1/20 0.37
PDK1 Q15118 1/20 0.37

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
SCHEMBL7784830 0.86 HCAR3 (0.40) ALDH1A1MAPTHCAR3LMNABCL6
SCHEMBL7784694 0.85 ALDH1A1 (0.47) ALDH1A1MAPTHCAR3LMNABCL6
SCHEMBL7786655 0.82 ALDH1A1 (0.47) ALDH1A1MAPTHCAR3LMNAPTGDR
SCHEMBL7786651 0.82 ALDH1A1 (0.47) ALDH1A1MAPTHCAR3LMNABCL6
SCHEMBL7784744 0.82 ALDH1A1 (0.47) ALDH1A1MAPTHCAR3LMNABCL6
SCHEMBL7786592 0.82 ALDH1A1 (0.50) ALDH1A1MAPTHCAR3BCL6BCOR
SCHEMBL7779743 0.81 ALDH1A1 (0.48) ALDH1A1MAPTHCAR3LMNAPTGDR
SCHEMBL8902920 0.81 ALDH1A1 (0.48) ALDH1A1MAPTHCAR3LMNABCL6
SCHEMBL7784815 0.81 ALDH1A1 (0.51) ALDH1A1MAPTHCAR3BCL6BCOR
SCHEMBL7786522 0.80 ALDH1A1 (0.50) ALDH1A1MAPTHCAR3BCL6BCOR

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