SCHEMBL8616748

SCHEMBL8616748

CCOP(=O)(OCC)C(C)n1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c3ccccc3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
GRIK3 Q13003 2/20 0.35
GRIK4 Q16099 2/20 0.35
GRIK5 Q16478 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
GRIA1 P42261 5/20 0.33
GRIA2 P42262 5/20 0.33
GRIA3 P42263 5/20 0.33
GRIA4 P48058 5/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 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
SCHEMBL8623523 0.90 GRIA1 (0.34) SIRT2GRIK1GRIK2GRIK3GRIK4
SCHEMBL8619987 0.89 SIRT2 (0.38) SIRT2GRIK1GRIK2GRIK3GRIK4
SCHEMBL8621415 0.89 SIRT2 (0.38) SIRT2GRIK1GRIK2GRIK3GRIK4
SCHEMBL8616755 0.88 SIRT2 (0.37) SIRT2GRIK1GRIK2GRIK3GRIK4
SCHEMBL8624320 0.85 SIRT2 (0.35) SIRT2GRIK1GRIK2GRIK3GRIK4
SCHEMBL8617950 0.85 KDM4E (0.52) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8621742 0.85 SIRT2 (0.43) SIRT2GRIK1GRIK2GRIK3GRIK4
SCHEMBL8620025 0.84 SIRT2 (0.39) SIRT2GRIK1GRIK2GRIK3GRIK4
SCHEMBL8624831 0.80 SIRT2 (0.40) SIRT2GRIK1GRIK2GRIK3GRIK4
SCHEMBL8617971 0.80 SIRT2 (0.40) SIRT2GRIK1GRIK2GRIK3GRIK4

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