SCHEMBL8618755

SCHEMBL8618755

CCOP(=O)(Cn1c(=O)c(=O)[nH]c2c3ccccc3c(N3CCCCC3)cc21)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 6/20 0.35
TP53 P04637 4/20 0.35
PRKDC P78527 1/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NCF1 P14598 1/20 0.32
RECQL P46063 2/20 0.32
CYP1A2 P05177 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
SCHEMBL8620071 0.85 GRIN2D (0.43) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL8621714 0.84 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTPRKDC
SCHEMBL8617675 0.81 PARP1 (0.35) ALDH1A1GAAKDM4ECYP1A2HPGD
SCHEMBL8619772 0.79 ALDH1A1 (0.32) ALDH1A1MAPTGAAKDM4EGLA
SCHEMBL8616658 0.78 SIRT2 (0.40) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL8618696 0.77 PLK1 (0.31) ALDH1A1GAAHTTKDM4E
SCHEMBL8622802 0.77 KDM4E (0.38) ALDH1A1KMT2AGAANPSR1HTT
SCHEMBL8114495 0.76 GRIA1 (0.44) MAPTTP53LMNA
SCHEMBL8109569 0.76 GRIA1 (0.44) MAPTTP53LMNA
SCHEMBL8624742 0.70 GRIK1 (0.38) ALDH1A1MEN1KMT2AMAPTKDM4E

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