SCHEMBL8895602

SCHEMBL8895602

O=c1[nH]c2cc(O)ccc2c(O)c1[N+](=O)[O-]

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 9/20 0.76
GRIN3B O60391 9/20 0.76
GRIN1 Q05586 9/20 0.76
GRIN2A Q12879 9/20 0.76
GRIN2B Q13224 9/20 0.76
GRIN2C Q14957 9/20 0.76
GRIN3A Q8TCU5 9/20 0.76
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
PARP1 P09874 1/20 0.46
SRC P12931 1/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
KMT2A Q03164 2/20 0.43
S100A4 P26447 2/20 0.42
GLI1 P08151 1/20 0.42

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 0.86 GRIN2D (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30583527 0.86 GRIN2D (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8898836 0.86 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30881072 0.86 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8897572 0.83 GRIN2D (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3495994 0.83 GRIN2D (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3260447 0.82 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8895598 0.80 GRIN2D (0.63) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8897979 0.79 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8895544 0.79 GRIN2D (1.00) 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
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