SCHEMBL9055013

SCHEMBL9055013

O=c1[nH]c2cc(Br)c(Br)c([N+](=O)[O-])c2[nH]c(=O)c1=O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 19/20 0.64
GRIN3B O60391 19/20 0.64
GRIN1 Q05586 19/20 0.64
GRIN2A Q12879 19/20 0.64
GRIN2B Q13224 19/20 0.64
GRIN2C Q14957 19/20 0.64
GRIN3A Q8TCU5 19/20 0.64

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
SCHEMBL2638791 0.94 GRIN2D (0.72) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7784724 0.82 GRIN2D (0.74) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872770 0.81 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872766 0.81 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4706733 0.81 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7779724 0.79 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7779841 0.78 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7779709 0.78 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2639506 0.78 GRIN2D (0.72) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7344865 0.78 GRIN2D (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996004288-A1 GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE 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) 1996-02-15 WO disclosed