SCHEMBL7355281

SCHEMBL7355281

O=C(O)CCCn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 5/20 0.55
GRIK2 Q13002 5/20 0.55
GRIK3 Q13003 4/20 0.55
GRIK4 Q16099 4/20 0.55
GRIK5 Q16478 4/20 0.55
MAPT P10636 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
GRIA1 P42261 3/20 0.45
GRIA2 P42262 3/20 0.45
GRIA3 P42263 3/20 0.45
GRIA4 P48058 3/20 0.45
SERPINE1 P05121 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MMP14 P50281 1/20 0.41

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
SCHEMBL7349770 0.94 GRIK1 (0.61) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL7351187 0.91 GRIK1 (0.55) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL9093775 0.85 GRIA1 (0.58) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL7353360 0.85 GRIK1 (0.59) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL7361295 0.83 SIRT2 (0.46) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL7354618 0.82 SIRT2 (0.46) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL9542780 0.82 SIRT2 (0.52) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8609548 0.81 CYP1A2 (0.57) MAPTSIRT2SIRT1GRIA1GRIA2
SCHEMBL7357748 0.80 SIRT2 (0.48) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL7349783 0.79 GRIA1 (0.45) GRIK1GRIK2GRIK3GRIK4GRIK5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057304-A Quinoxaline-phosphonic acid derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
EP-0565683-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-10-20 EP disclosed
WO-1993008173-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-29 WO disclosed