SCHEMBL8619552

SCHEMBL8619552

O=c1[nH]c2c3ccccc3c([N+](=O)[O-])cc2n(C(c2ccccc2)P(=O)(O)O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.41
PARP1 P09874 1/20 0.40
ACP3 P15309 1/20 0.36
GRIN2D O15399 6/20 0.34
GRIN3B O60391 6/20 0.34
GRIN1 Q05586 6/20 0.34
GRIN2A Q12879 6/20 0.34
GRIN2B Q13224 6/20 0.34
GRIN2C Q14957 6/20 0.34
GRIN3A Q8TCU5 6/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FBP1 P09467 2/20 0.33
ADORA3 P0DMS8 1/20 0.32
GUSB P08236 1/20 0.32
HPRT1 P00492 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
SCHEMBL8620034 0.85 SIRT2 (0.38) SIRT2PARP1KMT2AFBP1
SCHEMBL8617919 0.85 SIRT2 (0.43) SIRT2PARP1GRIN2DGRIN3BGRIN1
SCHEMBL8619832 0.83 SIRT2 (0.41) SIRT2PARP1ACP3GRIN2DGRIN3B
SCHEMBL8622360 0.82 SIRT2 (0.40) SIRT2PARP1GRIN2DGRIN3BGRIN1
SCHEMBL8617993 0.81 SIRT2 (0.39) SIRT2PARP1GRIN2DGRIN3BGRIN1
SCHEMBL8621736 0.80 SIRT2 (0.43) SIRT2PARP1MEN1KMT2AFBP1
SCHEMBL8618714 0.78 GRIA1 (0.44) SIRT2PARP1GRIN2DGRIN3BGRIN1
SCHEMBL9036978 0.78 SIRT2 (0.32) SIRT2PARP1
SCHEMBL8807743 0.77 SIRT2 (0.41) SIRT2PARP1MEN1KMT2AFBP1
SCHEMBL8620025 0.75 SIRT2 (0.39) SIRT2PARP1MEN1KMT2AFBP1

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