SCHEMBL8911643

SCHEMBL8911643

O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n2c(=O)[nH]nc12

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.65
GRIA1 P42261 1/20 0.65
GRIA2 P42262 1/20 0.65
GRIA3 P42263 1/20 0.65
GRIA4 P48058 1/20 0.65
GRIK2 Q13002 1/20 0.65
GRIK3 Q13003 1/20 0.65
GRIK4 Q16099 1/20 0.65
GRIK5 Q16478 1/20 0.65
SLC22A6 Q4U2R8 1/20 0.58
SLC22A8 Q8TCC7 1/20 0.58

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
SCHEMBL8911406 0.96 GRIK1 (0.65) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911658 0.83 CA12 (0.50) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8139096 0.82 GRIK1 (0.60) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL4564672 0.81 GRIA1 (0.67) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911197 0.81 CA12 (0.47) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911151 0.81 GRIK1 (0.43) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911413 0.80 PDE2A (0.43) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8912056 0.80 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4
Ym-90K SCHEMBL2049549 0.79 GRIA1 (1.00) GRIK1GRIA1GRIA2GRIA3GRIA4
Ym-90K SCHEMBL29798088 0.79 GRIA1 (1.00) GRIK1GRIA1GRIA2GRIA3GRIA4

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 7 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-A1 1,2,4]TRIAZOLO 4,3-a]QUINOXALINE COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1996-02-28 EP claimed
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 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
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