SCHEMBL8624317

SCHEMBL8624317

CCOP(=O)(OCC)C(CC)n1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c3c(S(N)(=O)=O)cccc3c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
KMT2A Q03164 2/20 0.51
HSD17B10 Q99714 2/20 0.51
GRIK1 P39086 2/20 0.51
GRIK2 Q13002 2/20 0.51
GRIK3 Q13003 2/20 0.51
GRIK4 Q16099 2/20 0.51
GRIK5 Q16478 2/20 0.51
MEN1 O00255 1/20 0.51
GRM6 O15303 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
THRB P10828 1/20 0.51
ALOX15 P16050 1/20 0.51
CYP2C19 P33261 1/20 0.51
GRIA1 P42261 1/20 0.51
GRIA2 P42262 1/20 0.51
GRIA3 P42263 1/20 0.51

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
SCHEMBL8617950 0.91 KDM4E (0.52) KDM4EMAPTHPGDKMT2AHSD17B10
SCHEMBL9037631 0.91 KDM4E (0.42) KDM4EMAPTHPGDKMT2AHSD17B10
SCHEMBL3682837 0.89 KMT2A (0.53) KDM4EMAPTHPGDKMT2AHSD17B10
SCHEMBL8622998 0.89 KDM4E (0.49) KDM4EMAPTHPGDKMT2AHSD17B10
SCHEMBL8619987 0.85 SIRT2 (0.38) MAPTHPGDGRIK1GRIK2GRIK3
SCHEMBL8618907 0.83 KMT2A (0.32) KDM4EMAPTHPGDKMT2AHSD17B10
SCHEMBL3680141 0.82 GRIK1 (0.53) KDM4EMAPTHPGDKMT2AHSD17B10
SCHEMBL3680432 0.81 KMT2A (0.56) KDM4EMAPTHPGDKMT2AHSD17B10
SCHEMBL3673298 0.78 GRIK1 (0.57) KDM4EMAPTHPGDKMT2AHSD17B10
SCHEMBL8616755 0.78 SIRT2 (0.37) MAPTHPGDGRIK1GRIK2GRIK3

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