SCHEMBL9389240

SCHEMBL9389240

O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c2c(=O)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 8/20 0.49
GRIN3B O60391 8/20 0.49
GRIN1 Q05586 8/20 0.49
GRIN2A Q12879 8/20 0.49
GRIN2B Q13224 8/20 0.49
GRIN2C Q14957 8/20 0.49
GRIN3A Q8TCU5 8/20 0.49
GRIA2 P42262 5/20 0.49
GRIA1 P42261 4/20 0.49
GRIA3 P42263 4/20 0.49
GRIA4 P48058 4/20 0.49
MAPT P10636 3/20 0.49
GRIK1 P39086 3/20 0.49
GRIK2 Q13002 3/20 0.49
GRIK3 Q13003 3/20 0.49
GRIK4 Q16099 3/20 0.49
GRIK5 Q16478 3/20 0.49
CYP1A2 P05177 2/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL9387650 0.84 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9389317 0.80 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9393393 0.80 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9392866 0.80 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9387691 0.79 MAPT (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9389950 0.79 GPR35 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9389375 0.78 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9393306 0.78 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9393192 0.78 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8581554 0.77 GRIN2D (0.53) 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
WO-1994007500-A1 2,5-DIHYDRO-2,5-DIOXO-1H-AZEPINES AND 2,5-DIHYDRO-2-OXO-1H-AZEPINES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS WEBER ECKARD (US) 1994-04-14 WO disclosed