SCHEMBL8619772

SCHEMBL8619772

CCOP(=O)(Cn1c(=O)c(=O)[nH]c2c3ccccc3c(C#N)cc21)OCC

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 1/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
MAPT P10636 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32

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 0.84 PARP1 (0.35) ALDH1A1GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL8621454 0.84 GRIN2D (0.45) ALDH1A1MAPK1GRIN1GRIN2BGRIN2D
SCHEMBL8623703 0.83 PDE9A (0.32) ALDH1A1MAPK1GRIN1GRIN2BMAPT
SCHEMBL8621635 0.81 KDM4D (0.35) ALDH1A1GRIN1GRIN2BMAPTGRIN2D
SCHEMBL8616658 0.80 SIRT2 (0.40) ALDH1A1MAPTGRIA1GRIA2GRIA3
SCHEMBL8622802 0.79 KDM4E (0.38) ALDH1A1GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL8618755 0.79 ALDH1A1 (0.36) ALDH1A1MAPK1MAPTKDM4EHPGD
SCHEMBL8618696 0.77 PLK1 (0.31) ALDH1A1RXFP1PSEN1PSEN2APH1B
SCHEMBL8618986 0.77 GRIN2D (0.35) ALDH1A1GRIN1GRIN2BMAPTGRIN2D
SCHEMBL9362677 0.73 KDM4E (0.40) ALDH1A1KDM4EHPGDPLA2G7GLA

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 4 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
EP-0696289-A1 BENZO F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 1996-02-14 EP disclosed
WO-1994025470-A1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed