SCHEMBL8621736

SCHEMBL8621736

CC(C(=O)O)n1c(=O)c(=O)[nH]c2c3ccccc3c([N+](=O)[O-])cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.43
PARP1 P09874 1/20 0.42
FBP1 P09467 6/20 0.39
GRIA1 P42261 2/20 0.36
GRIA2 P42262 2/20 0.36
GRIA3 P42263 2/20 0.36
GRIA4 P48058 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
USP5 P45974 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRIK3 Q13003 1/20 0.34

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
SCHEMBL8807743 0.86 SIRT2 (0.41) SIRT2PARP1FBP1GRIA1GRIA2
SCHEMBL8617919 0.83 SIRT2 (0.43) SIRT2PARP1FBP1GRIA1GRIA2
SCHEMBL8621659 0.82 SIRT2 (0.43) SIRT2PARP1FBP1GRIA1GRIA2
Bicarbonate SCHEMBL8807164 0.81 SIRT2 (0.47) SIRT2PARP1FBP1KDM4EMEN1
SCHEMBL8619552 0.80 SIRT2 (0.41) SIRT2PARP1FBP1MEN1KMT2A
SCHEMBL8622360 0.79 SIRT2 (0.40) SIRT2PARP1FBP1KDM4EALDH1A1
SCHEMBL8623646 0.77 GRIK1 (0.54) SIRT2PARP1GRIA1GRIA2GRIA3
SCHEMBL8620025 0.77 SIRT2 (0.39) SIRT2PARP1FBP1GRIA1GRIA2
SCHEMBL8617993 0.77 SIRT2 (0.39) SIRT2PARP1FBP1KDM4EMEN1
SCHEMBL8620034 0.76 SIRT2 (0.38) SIRT2PARP1FBP1KMT2AALDH1A1

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 claimed
EP-0696289-B1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 1997-03-12 EP claimed
US-5710138-A Benzo f!quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed