SCHEMBL8617954

SCHEMBL8617954

N#CCCn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c3ccccc3c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.43
GRIA1 P42261 4/20 0.40
GRIA2 P42262 4/20 0.40
GRIA3 P42263 4/20 0.40
GRIA4 P48058 4/20 0.40
CYP1A2 P05177 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
GRIK1 P39086 5/20 0.39
GRIK2 Q13002 5/20 0.39
GRIK3 Q13003 5/20 0.39
GRIK4 Q16099 5/20 0.39
GRIK5 Q16478 5/20 0.39
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38

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
SCHEMBL8620601 0.82 SIRT2 (0.43) SIRT2GRIA1GRIA2GRIA3GRIA4
SCHEMBL9749640 0.81 MEN1 (0.43) SIRT2MAPTGRIK1GRIK2GRIK3
SCHEMBL8618891 0.80 GRIK1 (0.57) SIRT2GRIA1GRIA2GRIA3GRIA4
SCHEMBL8619770 0.79 GRIA1 (0.44) SIRT2GRIA1GRIA2GRIA3GRIA4
SCHEMBL8621754 0.76 ALDH1A1 (0.40) CYP1A2MAPTHPGDLMNACYP3A4
SCHEMBL8617971 0.74 SIRT2 (0.40) SIRT2GRIA1GRIA2GRIA3GRIA4
Bicarbonate SCHEMBL8806909 0.74 SIRT2 (0.47) SIRT2GRIA1GRIA2GRIA3GRIA4
SCHEMBL8621659 0.69 SIRT2 (0.43) SIRT2GRIA1GRIA2GRIA3GRIA4
SCHEMBL8624831 0.68 SIRT2 (0.40) SIRT2GRIA1GRIA2GRIA3GRIA4
SCHEMBL8621742 0.68 SIRT2 (0.43) SIRT2GRIA1GRIA2GRIA3GRIA4

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-5710138-A Benzo f!quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
EP-0696289-B1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 1997-03-12 EP disclosed
WO-1994025470-A1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed