SCHEMBL7361295

SCHEMBL7361295

O=c1[nH]c2cc([N+](=O)[O-])ccc2n(CCCP(=O)(O)O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.46
SIRT1 Q96EB6 1/20 0.46
GRIA1 P42261 2/20 0.44
GRIA2 P42262 2/20 0.44
GRIA3 P42263 2/20 0.44
GRIA4 P48058 2/20 0.44
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
GRIK3 Q13003 2/20 0.42
GRIK4 Q16099 2/20 0.42
GRIK5 Q16478 2/20 0.42
GRIN2D O15399 4/20 0.42
GRIN3B O60391 4/20 0.42
GRIN1 Q05586 4/20 0.42
GRIN2A Q12879 4/20 0.42
GRIN2B Q13224 4/20 0.42
GRIN2C Q14957 4/20 0.42
GRIN3A Q8TCU5 4/20 0.42
PARP1 P09874 1/20 0.40

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
SCHEMBL7354618 0.97 SIRT2 (0.46) SIRT2SIRT1GRIA1GRIA2GRIA3
SCHEMBL7357748 0.93 SIRT2 (0.48) SIRT2SIRT1GRIA1GRIA2GRIA3
SCHEMBL7350733 0.86 GRIN2D (0.57) SIRT2SIRT1GRIA1GRIA2GRIA3
SCHEMBL7353282 0.84 SIRT2 (0.45) SIRT2SIRT1GRIA1GRIA2GRIA3
SCHEMBL7353289 0.83 GRIK1 (0.40) SIRT2SIRT1GRIA1GRIA2GRIA3
SCHEMBL7355281 0.83 GRIK1 (0.55) SIRT2SIRT1GRIA1GRIA2GRIA3
SCHEMBL7349770 0.81 GRIK1 (0.61) SIRT2SIRT1GRIA1GRIA2GRIA3
SCHEMBL9542780 0.81 SIRT2 (0.52) SIRT2SIRT1GRIA1GRIA2GRIA3
SCHEMBL7361791 0.79 GRIA1 (0.48) SIRT2SIRT1GRIA1GRIA2GRIA3
SCHEMBL7354370 0.79 SRC (0.46) SIRT2SIRT1GRIA1GRIA2GRIA3

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
WO-1993008173-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-29 WO claimed
US-6288065-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON*S AND ALZHEIMER*S DISEASE SCHERING AKTIENGESEELLSCHAFT (DE) 2001-09-11 US disclosed
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