SCHEMBL8873183

SCHEMBL8873183

O=c1[nH]c2ccccc2c([N+](=O)[O-])c1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 6/20 0.77
GRIN3B O60391 6/20 0.77
GRIN1 Q05586 6/20 0.77
GRIN2A Q12879 6/20 0.77
GRIN2B Q13224 6/20 0.77
GRIN2C Q14957 6/20 0.77
GRIN3A Q8TCU5 6/20 0.77
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPT P10636 2/20 0.61
IDE P14735 1/20 0.61
MPI P34949 1/20 0.61
CACNA1B Q00975 1/20 0.61
APBA1 Q02410 1/20 0.61
KMT2A Q03164 2/20 0.57
S100A4 P26447 2/20 0.56
DAO P14920 1/20 0.56
DDO Q99489 1/20 0.56
PARP1 P09874 2/20 0.49
FASN P49327 1/20 0.48

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
SCHEMBL8873922 0.90 GRIN2D (0.72) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3260447 0.87 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872873 0.84 GRIN2D (0.82) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL25394868 0.80 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7145476 0.77 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1884123 0.76 KDM4E (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30202503 0.75 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13295319 0.75 GRIN2D (0.73) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27410859 0.74 ALDH1A1 (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873579 0.74 GRIN2D (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5597922-A 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 (US) 1997-01-28 US disclosed
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