SCHEMBL8620601

SCHEMBL8620601

N#CCCn1c(=O)c(=O)[nH]c2c3ccccc3c([N+](=O)[O-])cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.43
PARP1 P09874 1/20 0.42
GRIK1 P39086 3/20 0.37
GRIK2 Q13002 3/20 0.37
GRIK3 Q13003 3/20 0.37
GRIK4 Q16099 3/20 0.37
GRIK5 Q16478 3/20 0.37
KDM4E B2RXH2 1/20 0.36
MYLK Q15746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34

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
SCHEMBL8617954 0.82 SIRT2 (0.43) SIRT2PARP1GRIK1GRIK2GRIK3
SCHEMBL9749646 0.81 KDM4E (0.45) SIRT2PARP1KDM4EALDH1A1HPGD
SCHEMBL8623646 0.80 GRIK1 (0.54) SIRT2PARP1GRIK1GRIK2GRIK3
SCHEMBL8618714 0.79 GRIA1 (0.44) SIRT2PARP1GRIK1GRIK2GRIK3
SCHEMBL8622115 0.76 KDM4E (0.41) KDM4EMYLKALDH1A1HPGD
SCHEMBL8616658 0.74 SIRT2 (0.40) SIRT2PARP1GRIK1GRIK2GRIK3
Bicarbonate SCHEMBL8807164 0.74 SIRT2 (0.47) SIRT2PARP1GRIK1GRIK2GRIK3
SCHEMBL8621736 0.69 SIRT2 (0.43) SIRT2PARP1GRIK1GRIK2GRIK3
SCHEMBL8622360 0.68 SIRT2 (0.40) SIRT2PARP1KDM4EALDH1A1GRIN2D
SCHEMBL8617919 0.68 SIRT2 (0.43) SIRT2PARP1GRIK1GRIK2GRIK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710138-A Benzo f!quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
WO-1994025470-A1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed