SCHEMBL8620799

SCHEMBL8620799

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.37
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KMT2A Q03164 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
MEN1 O00255 1/20 0.33
GSK3B P49841 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL8622359 0.93 SIRT2 (0.39) SIRT2LMNAMAPTHPGDKMT2A
SCHEMBL8624831 0.89 SIRT2 (0.40) SIRT2LMNAMAPTHPGDKMT2A
SCHEMBL8624320 0.88 SIRT2 (0.35) SIRT2ALDH1A1GAALMNAMAPT
SCHEMBL8621742 0.82 SIRT2 (0.43) SIRT2ALDH1A1LMNAMAPTKDM4E
SCHEMBL9036662 0.82 SIRT2 (0.31) SIRT2ALDH1A1GAALMNAMAPT
SCHEMBL8616755 0.81 SIRT2 (0.37) SIRT2LMNAMAPTHPGDGRIN2D
SCHEMBL8619987 0.79 SIRT2 (0.38) SIRT2LMNAMAPTHPGDGRIN2D
SCHEMBL8619832 0.79 SIRT2 (0.41) SIRT2LMNAMAPTHPGDKMT2A
SCHEMBL8617993 0.78 SIRT2 (0.39) SIRT2ALDH1A1GAALMNAMAPT
SCHEMBL9749640 0.76 MEN1 (0.43) SIRT2ALDH1A1GAAMAPTKDM4E

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 2 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