SCHEMBL8617993

SCHEMBL8617993

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
PARP1 P09874 1/20 0.38
GRIN1 Q05586 6/20 0.34
GRIN2D O15399 5/20 0.34
GRIN3B O60391 5/20 0.34
GRIN2A Q12879 5/20 0.34
GRIN2B Q13224 5/20 0.34
GRIN2C Q14957 5/20 0.34
GRIN3A Q8TCU5 5/20 0.34
FBP1 P09467 2/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 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
SCHEMBL8622360 0.92 SIRT2 (0.40) SIRT2PARP1GRIN1GRIN2DGRIN3B
SCHEMBL8618985 0.88 SIRT2 (0.37) SIRT2PARP1FBP1KDM4ELMNA
SCHEMBL8617919 0.85 SIRT2 (0.43) SIRT2PARP1GRIN1GRIN2DGRIN3B
SCHEMBL8622359 0.84 SIRT2 (0.39) SIRT2GRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8616707 0.82 SIRT2 (0.38) SIRT2PARP1FBP1KDM4ELMNA
SCHEMBL8619552 0.81 SIRT2 (0.41) SIRT2PARP1GRIN1GRIN2DGRIN3B
SCHEMBL9036978 0.81 SIRT2 (0.32) SIRT2PARP1
SCHEMBL8620025 0.78 SIRT2 (0.39) SIRT2PARP1FBP1KDM4EMAPT
SCHEMBL8620799 0.78 SIRT2 (0.37) SIRT2GRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL8618714 0.78 GRIA1 (0.44) SIRT2PARP1GRIN1GRIN2DGRIN3B

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
US-5710138-A Benzo f!quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed