SCHEMBL8911318

SCHEMBL8911318

O=c1[nH]c2c([N+](=O)[O-])cc(-n3ccnc3)cc2n2c(=O)[nH]nc12

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 5/20 0.47
GRIA2 P42262 5/20 0.47
GRIA3 P42263 5/20 0.47
GRIA4 P48058 5/20 0.47
GRIK1 P39086 1/20 0.47
GRIK2 Q13002 1/20 0.47
GRIK3 Q13003 1/20 0.47
GRIK4 Q16099 1/20 0.47
GRIK5 Q16478 1/20 0.47

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
SCHEMBL8912904 0.83 PDE3B (0.37) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8911406 0.81 GRIK1 (0.65) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8911643 0.79 GRIK1 (0.65) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL9019035 0.76 GRIA1 (0.63) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8912201 0.76 PGR (0.45)
Water SCHEMBL8136167 0.76 SLC22A6 (0.49) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8911094 0.73 PRMT5 (0.44)
SCHEMBL8191099 0.73 SLC22A6 (0.67) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8911197 0.70 CA12 (0.47) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8911151 0.70 GRIK1 (0.43) GRIA1GRIA2GRIA3GRIA4GRIK1

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
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
EP-0698024-A1 1,2,4]TRIAZOLO 4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1996-02-28 EP disclosed
WO-1994026746-A1 [1,2,4]TRIAZOLO[4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-11-24 WO disclosed