SCHEMBL8912253

SCHEMBL8912253

O=c1[nH]c2cc([N+](=O)[O-])c(-n3cnc(-c4ccccc4)c3)cc2n2c(=O)[nH]nc12

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 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
SCHEMBL8912076 0.82 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4
Water SCHEMBL8139920 0.81 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911824 0.79 ALDH1A1 (0.51)
SCHEMBL8911643 0.79 GRIK1 (0.65) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911406 0.75 GRIK1 (0.65) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911220 0.73 GRIN2D (0.42) GRIA1GRIA2GRIA3GRIA4
SCHEMBL7354337 0.73 GRIN2D (0.42) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8912067 0.73 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911357 0.73 ALDH1A1 (0.43)
SCHEMBL8911158 0.71

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 5 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
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