SCHEMBL8911220

SCHEMBL8911220

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GRIK1 P39086 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
BLM P54132 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIK2 Q13002 1/20 0.42
GRIK3 Q13003 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 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
SCHEMBL7354337 0.85 GRIN2D (0.42) GRIN2DGRIN3BLMNACYP1A2CYP3A4
SCHEMBL7414612 0.82 CA12 (0.47) GRIN2DGRIN3BLMNACYP1A2CYP3A4
SCHEMBL8911357 0.80 ALDH1A1 (0.43) CYP1A2CYP3A4MAPT
SCHEMBL7417792 0.80 GRIA1 (0.56) GRIN2DGRIN3BLMNACYP1A2CYP3A4
SCHEMBL7353512 0.80 GRIA1 (0.50) LMNACYP3A4MAPTGRIA1GRIA2
SCHEMBL8129342 0.79 CA12 (0.38) GRIN2DGRIN3BLMNACYP1A2CYP3A4
SCHEMBL8912067 0.78 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911643 0.78 GRIK1 (0.65) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911406 0.75 GRIK1 (0.65) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911824 0.74 ALDH1A1 (0.51)

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