SCHEMBL8897572

SCHEMBL8897572

COc1ccc2c(O)c([N+](=O)[O-])c(=O)[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 8/20 0.65
GRIN3B O60391 8/20 0.65
GRIN1 Q05586 8/20 0.65
GRIN2A Q12879 8/20 0.65
GRIN2B Q13224 8/20 0.65
GRIN2C Q14957 8/20 0.65
GRIN3A Q8TCU5 8/20 0.65
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPT P10636 1/20 0.61
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 3/20 0.46
GAA P10253 1/20 0.44
HCRTR1 O43613 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL8898109 0.84 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8895598 0.83 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8895602 0.83 GRIN2D (0.76) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8897748 0.82 GRIN2D (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30881072 0.79 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8898836 0.79 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30583527 0.79 GRIN2D (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8896916 0.77 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3133404 0.77 CTSV (0.52) KDM4EALDH1A1MAPTCTSVCTSL
SCHEMBL8896271 0.76 GRIN2D (0.73) 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 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