SCHEMBL8116643

SCHEMBL8116643

O=C1[N]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2NC1=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.56
GRIA1 P42261 1/20 0.56
GRIA2 P42262 1/20 0.56
GRIA3 P42263 1/20 0.56
GRIA4 P48058 1/20 0.56
GRIK2 Q13002 1/20 0.56
GRIK3 Q13003 1/20 0.56
GRIK4 Q16099 1/20 0.56
GRIK5 Q16478 1/20 0.56
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44

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
SCHEMBL27597281 0.95 GRIK1 (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8128055 0.77 CYP3A4 (0.39) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL10680326 0.74 GRIA1 (0.67) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8114688 0.74 AKR1B1 (0.50)
SCHEMBL8555748 0.72 ALDH1A1 (0.40) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8559761 0.72 AKR1B1 (0.40)
SCHEMBL8118374 0.72 ESPL1 (0.38) GRIK1GRIA1GRIA2GRIA3GRIA4
Ym-90K SCHEMBL2049549 0.72 GRIA1 (1.00) GRIK1GRIA1GRIA2GRIA3GRIA4
Ym-90K SCHEMBL29798088 0.72 GRIA1 (1.00) GRIK1GRIA1GRIA2GRIA3GRIA4
Ym-90K SCHEMBL678466 0.71 GRIA1 (0.97) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696288-B1 QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 2000-09-20 EP disclosed
EP-1002796-A2 Novel quinoxalindione derivatives, their production and use in medicaments Schering Aktiengesellschaft (DE) 2000-05-24 EP disclosed
EP-0696288-A1 QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1996-02-14 EP disclosed
WO-1994025469-A1 QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed