SCHEMBL8616631

SCHEMBL8616631

CC(n1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c3cccc([N+](=O)[O-])c3c21)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 5/20 0.37
GRIA2 P42262 5/20 0.37
GRIA3 P42263 5/20 0.37
GRIA4 P48058 5/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
GRIK1 P39086 3/20 0.37
GRIK2 Q13002 3/20 0.37
GRIK3 Q13003 3/20 0.37
GRIK4 Q16099 3/20 0.37
GRIK5 Q16478 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GRM6 O15303 1/20 0.37
GLA P06280 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL8621742 0.89 SIRT2 (0.43) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL8623523 0.85 GRIA1 (0.34) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL3680432 0.83 KMT2A (0.56) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL8622988 0.81 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL8621313 0.79 CA2 (0.39) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL8617919 0.76 SIRT2 (0.43) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL8624831 0.76 SIRT2 (0.40) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL8619832 0.74 SIRT2 (0.41) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL8616748 0.74 SIRT2 (0.39) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8622359 0.74 SIRT2 (0.39) GRIA1GRIA2GRIA3GRIA4KMT2A

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