SCHEMBL9036662

SCHEMBL9036662

CCCC(n1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c3ccccc3c21)P(=O)(OCC)OCC.CCCCCC(n1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c3ccccc3c21)P(=O)(OCC)OCC.CCOP(=O)(OCC)C(c1ccccc1)n1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c3ccccc3c21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 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
SCHEMBL8624320 0.93 SIRT2 (0.35) SIRT2ALDH1A1LMNAGAAMAPT
SCHEMBL8616755 0.91 SIRT2 (0.37) SIRT2LMNAMAPT
SCHEMBL8621415 0.90 SIRT2 (0.38) SIRT2
SCHEMBL8619987 0.84 SIRT2 (0.38) SIRT2LMNAMAPT
SCHEMBL8620799 0.82 SIRT2 (0.37) SIRT2ALDH1A1LMNAGAAMAPT
SCHEMBL9036978 0.80 SIRT2 (0.32) SIRT2
SCHEMBL8622359 0.79 SIRT2 (0.39) SIRT2LMNAMAPT
SCHEMBL8616748 0.79 SIRT2 (0.39) SIRT2LMNAMAPT
SCHEMBL8622998 0.78 KDM4E (0.49) ALDH1A1MAPT
SCHEMBL8618985 0.77 SIRT2 (0.37) SIRT2LMNAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696289-A1 BENZO F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 1996-02-14 EP disclosed