SCHEMBL8622115

SCHEMBL8622115

N#CCCn1c(=O)c(=O)[nH]c2c3ccccc3ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
MYLK Q15746 4/20 0.40
CTNNB1 P35222 1/20 0.37
CYP1A2 P05177 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
PDPK1 O15530 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36

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
SCHEMBL9395672 0.81 RORA (0.52) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL8621754 0.80 ALDH1A1 (0.40) KDM4EHSD17B10MEN1KMT2ALMNA
SCHEMBL9395611 0.79 SMN1; SMN2 (0.53) KDM4EHSD17B10LMNAMAPK1ALDH1A1
SCHEMBL7351501 0.79 HSD17B10 (0.36) KDM4EHSD17B10MEN1KMT2ALMNA
SCHEMBL9396447 0.79 SMN1; SMN2 (0.53) KDM4EHSD17B10LMNAMAPK1ALDH1A1
SCHEMBL9395938 0.78 MPO (0.50) KDM4EKMT2ALMNAALDH1A1
SCHEMBL9395727 0.77 KDM4E (0.48) KDM4EHSD17B10MEN1KMT2ALMNA
SCHEMBL8620601 0.76 SIRT2 (0.43) KDM4EALDH1A1HPGDMYLK
SCHEMBL8610724 0.76 FDPS (0.48) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL9396498 0.75 RORA (0.42) HSD17B10LMNAALDH1A1HPGDGSK3B

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 2 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
WO-1994025470-A1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-10 WO disclosed