SCHEMBL8895896

SCHEMBL8895896

O=c1[nH]c2ccc([N+](=O)[O-])cc2c(O)c1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 7/20 0.66
GRIN3B O60391 7/20 0.66
GRIN1 Q05586 7/20 0.66
GRIN2A Q12879 7/20 0.66
GRIN2B Q13224 7/20 0.66
GRIN2C Q14957 7/20 0.66
GRIN3A Q8TCU5 7/20 0.66
FASN P49327 1/20 0.65
PARP1 P09874 2/20 0.60
CA12 O43570 2/20 0.59
CA9 Q16790 2/20 0.59
GRIA1 P42261 1/20 0.57
GRIA2 P42262 1/20 0.57
GRIA3 P42263 1/20 0.57
GRIA4 P48058 1/20 0.57
S100A4 P26447 1/20 0.54
CTSV O60911 1/20 0.52
CTSL P07711 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51

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
SCHEMBL8898790 0.84 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8896143 0.84 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL404811 0.84 GRIN2D (0.79) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15828559 0.80 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8899188 0.80 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8896131 0.80 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3260447 0.80 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31061146 0.79 FASN (1.00) FASNPARP1CA12CA9CTSV
SCHEMBL4469573 0.79 FASN (1.00) FASNPARP1CA12CA9CTSV
SCHEMBL9389021 0.79 PARP1 (0.60) FASNPARP1CA12CA9GRIA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622965-A CENTRAL 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) 1997-04-22 US disclosed
EP-0688319-A4 4-HYDROXY-3-NITRO-1,2-DIHYDROQUINOLIN-2-ONES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS OREGON STATE (US) 1996-02-28 EP disclosed
EP-0688319-A1 4-HYDROXY-3-NITRO-1,2-DIHYDROQUINOLIN-2-ONES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS The STATE OF OREGON acting by and through the STATE BOARD OF HIGHER EDUCATION on behalf of the UNIV. OF OREGON (US) 1995-12-27 EP disclosed
WO-1994020470-A1 4-HYDROXY-3-NITRO-1,2-DIHYDROQUINOLIN-2-ONES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and onbehalf of THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE, OREGON (US) 1994-09-15 WO disclosed