SCHEMBL8621749

SCHEMBL8621749

CCOP(=O)(OCC)C(C)n1c(=O)c(=O)[nH]c2c3ccccc3ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 5/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
NR1I2 O75469 1/20 0.32
TSHR P16473 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL8624122 0.88 HPGD (0.36) HPGDKDM4ELMNAALDH1A1THRB
SCHEMBL8621942 0.87 POLB (0.40) HPGDKDM4ELMNAALDH1A1THRB
SCHEMBL8621636 0.86 HPGD (0.34) HPGDKDM4ELMNAALDH1A1THRB
SCHEMBL7351495 0.82 GRIN2D (0.42) HPGDKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL8620025 0.79 SIRT2 (0.39) HPGDKDM4EALDH1A1THRBPOLB
SCHEMBL8622802 0.77 KDM4E (0.38) HPGDKDM4ELMNAALDH1A1KMT2A
SCHEMBL8343157 0.73 DAO (0.37) KDM4ELMNAALDH1A1POLBKMT2A
SCHEMBL8346146 0.70 PGR (0.40) KDM4ELMNAALDH1A1POLBMAPT
SCHEMBL9395837 0.70 KDM4E (0.43) HPGDKDM4ELMNAALDH1A1KMT2A
SCHEMBL8616748 0.69 SIRT2 (0.39) HPGDLMNAGRIN2DGRIN3BGRIN1

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