SCHEMBL8622802

SCHEMBL8622802

CCOP(=O)(Cn1c(=O)c(=O)[nH]c2c3ccccc3ccc21)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
MCL1 Q07820 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
GAA P10253 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
NPC1 O15118 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33

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
SCHEMBL8617675 0.82 PARP1 (0.35) KDM4EHPGDALDH1A1GAAGRIN2D
SCHEMBL7352636 0.82 GRIN2D (0.47) KDM4EHPGDMCL1SMN1; SMN2ALDH1A1
SCHEMBL8619772 0.79 ALDH1A1 (0.32) KDM4EHPGDALDH1A1GAARXFP1
SCHEMBL8616658 0.78 SIRT2 (0.40) LMNAALDH1A1HTTNPC1GRIA1
SCHEMBL8621749 0.77 HPGD (0.36) KDM4EHPGDLMNAMCL1SMN1; SMN2
SCHEMBL8618755 0.77 ALDH1A1 (0.36) KDM4EHPGDLMNAALDH1A1HTT
SCHEMBL8612957 0.77 ALDH1A1 (0.50) KDM4EHPGDALDH1A1HTTHSD17B10
SCHEMBL9395672 0.77 RORA (0.52) KDM4EHPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL8624122 0.76 HPGD (0.36) KDM4EHPGDLMNAMCL1SMN1; SMN2
SCHEMBL8621942 0.76 POLB (0.40) KDM4EHPGDLMNASMN1; SMN2ALDH1A1

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