SCHEMBL8624320

SCHEMBL8624320

CCCCCC(n1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c3ccccc3c21)P(=O)(OCC)OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
GRIK3 Q13003 1/20 0.33
GRIK4 Q16099 1/20 0.33
GRIK5 Q16478 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL8616755 0.94 SIRT2 (0.37) SIRT2LMNAGRIK1GRIK2GRIK3
SCHEMBL9036662 0.93 SIRT2 (0.31) SIRT2LMNAALDH1A1GAAMAPT
SCHEMBL8619987 0.90 SIRT2 (0.38) SIRT2LMNAGRIK1GRIK2GRIK3
SCHEMBL8620799 0.88 SIRT2 (0.37) SIRT2MEN1KMT2ALMNAALDH1A1
SCHEMBL8616748 0.85 SIRT2 (0.39) SIRT2LMNAGRIK1GRIK2GRIK3
SCHEMBL8621415 0.84 SIRT2 (0.38) SIRT2KMT2AGRIK1GRIK2GRIK3
SCHEMBL8622359 0.82 SIRT2 (0.39) SIRT2KMT2ALMNAGRIK1GRIK2
SCHEMBL8624831 0.80 SIRT2 (0.40) SIRT2KMT2ALMNAGRIK1GRIK2
SCHEMBL8618985 0.79 SIRT2 (0.37) SIRT2MEN1KMT2ALMNAGRIK1
SCHEMBL8624317 0.76 KDM4E (0.51) MEN1KMT2AGRIK1GRIK2GRIK3

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