SCHEMBL8616658

SCHEMBL8616658

CCOP(=O)(Cn1c(=O)c(=O)[nH]c2c3ccccc3c([N+](=O)[O-])cc21)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.40
PARP1 P09874 1/20 0.39
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
GRIK3 Q13003 2/20 0.36
GRIK4 Q16099 2/20 0.36
GRIK5 Q16478 2/20 0.36
GRIA1 P42261 2/20 0.34
GRIA2 P42262 2/20 0.34
GRIA3 P42263 2/20 0.34
GRIA4 P48058 2/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
AGTR1 P30556 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8624742 0.87 GRIK1 (0.38) PARP1GRIK1GRIK2GRIK3GRIK4
SCHEMBL8618986 0.86 GRIN2D (0.35) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8621861 0.84 PARP1 (0.38) PARP1GRIK1GRIK2GRIK3GRIK4
SCHEMBL8621635 0.84 KDM4D (0.35) PARP1GRIK1GRIK2GRIK3GRIK4
SCHEMBL8618714 0.84 GRIA1 (0.44) SIRT2PARP1GRIK1GRIK2GRIK3
SCHEMBL8617971 0.84 SIRT2 (0.40) SIRT2GRIK1GRIK2GRIK3GRIK4
SCHEMBL8617675 0.83 PARP1 (0.35) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8619772 0.80 ALDH1A1 (0.32) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8620025 0.80 SIRT2 (0.39) SIRT2PARP1GRIK1GRIK2GRIK3
SCHEMBL8616707 0.79 SIRT2 (0.38) 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 4 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
EP-0696289-A1 BENZO F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 1996-02-14 EP disclosed
WO-1994025470-A1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed