SCHEMBL8620034

SCHEMBL8620034

CCOP(=O)(OCC)C(c1ccccc1)n1c(=O)c(=O)[nH]c2c3ccccc3c([N+](=O)[O-])cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.38
PARP1 P09874 1/20 0.37
POLB P06746 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
FBP1 P09467 2/20 0.32
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 3/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
AGTR1 P30556 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TLR9 Q9NR96 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
SCHEMBL9036978 0.91 SIRT2 (0.32) SIRT2PARP1POLB
SCHEMBL8620025 0.89 SIRT2 (0.39) SIRT2PARP1POLBCA12CA1
SCHEMBL8616707 0.88 SIRT2 (0.38) SIRT2PARP1POLBCA12CA1
SCHEMBL8618985 0.86 SIRT2 (0.37) SIRT2PARP1CA12CA1CA2
SCHEMBL8619552 0.85 SIRT2 (0.41) SIRT2PARP1FBP1KMT2A
SCHEMBL8621415 0.85 SIRT2 (0.38) SIRT2POLBCA12CA1CA2
SCHEMBL8621942 0.80 POLB (0.40) POLBMAPTALDH1A1LMNAHPGD
SCHEMBL8616658 0.79 SIRT2 (0.40) SIRT2PARP1MAPTALDH1A1LMNA
SCHEMBL8622360 0.79 SIRT2 (0.40) SIRT2PARP1POLBFBP1MAPT
SCHEMBL8617919 0.77 SIRT2 (0.43) SIRT2PARP1FBP1MAPTALDH1A1

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