SCHEMBL8911599

SCHEMBL8911599

CCCc1nccn1-c1cc2c(cc1[N+](=O)[O-])[nH]c(=O)c1n[nH]c(=O)n12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL8911158 0.83
SCHEMBL8911993 0.83 GRIA1 (0.39) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL8911643 0.76 GRIK1 (0.65) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911824 0.75 ALDH1A1 (0.51)
SCHEMBL8911220 0.72 GRIN2D (0.42) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL7354337 0.72 GRIN2D (0.42) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL8911406 0.72 GRIK1 (0.65) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911357 0.72 ALDH1A1 (0.43)
SCHEMBL8912067 0.72 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8912253 0.70 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0698024-B1 [1,2,4]TRIAZOLO [4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-01-22 EP claimed
EP-0698024-B1 [1,2,4]TRIAZOLO [4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1997-01-22 EP disclosed
US-5532236-A TREATMENT OF PARKINSON'S DISEASE NOVO NORDISK A/S (DK) 1996-07-02 US disclosed