SCHEMBL8874012

SCHEMBL8874012

Cc1ccc2c(=O)c(O)c([N+](=O)[O-])c(=O)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 10/20 0.60
GRIN3B O60391 10/20 0.60
GRIN1 Q05586 10/20 0.60
GRIN2A Q12879 10/20 0.60
GRIN2B Q13224 10/20 0.60
GRIN2C Q14957 10/20 0.60
GRIN3A Q8TCU5 10/20 0.60
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
DAO P14920 1/20 0.43
DDO Q99489 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL8897748 0.92 GRIN2D (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872889 0.89 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872736 0.83 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872833 0.83 GRIN2D (0.84) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8898790 0.83 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872914 0.80 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8872873 0.80 GRIN2D (0.82) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8895602 0.78 GRIN2D (0.76) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8874302 0.78 GRIN2D (0.86) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8897979 0.77 GRIN2D (0.68) 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