SCHEMBL8618985

SCHEMBL8618985

CCCC(n1c(=O)c(=O)[nH]c2c3ccccc3c([N+](=O)[O-])cc21)P(=O)(OCC)OCC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.37
PARP1 P09874 1/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GRIK1 P39086 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRIK3 Q13003 1/20 0.30
GRIK4 Q16099 1/20 0.30
GRIK5 Q16478 1/20 0.30
FBP1 P09467 1/20 0.30

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
SCHEMBL8616707 0.93 SIRT2 (0.38) SIRT2PARP1CA12CA1CA2
SCHEMBL9036978 0.92 SIRT2 (0.32) SIRT2PARP1
SCHEMBL8617993 0.88 SIRT2 (0.39) SIRT2PARP1MEN1KMT2AKDM4E
SCHEMBL8620025 0.88 SIRT2 (0.39) SIRT2PARP1CA12CA1CA2
SCHEMBL8620034 0.86 SIRT2 (0.38) SIRT2PARP1CA12CA1CA2
SCHEMBL8616755 0.85 SIRT2 (0.37) SIRT2CA12CA1CA2CA9
SCHEMBL8622360 0.82 SIRT2 (0.40) SIRT2PARP1KDM4ELMNAMAPT
SCHEMBL8621636 0.81 HPGD (0.34) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL8624320 0.79 SIRT2 (0.35) SIRT2CA12CA1CA2CA9
SCHEMBL8616658 0.78 SIRT2 (0.40) SIRT2PARP1MEN1KMT2ALMNA

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