SCHEMBL28400274

SCHEMBL28400274

COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(O)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.82
HPGD P15428 4/20 0.82
ALDH1A1 P00352 4/20 0.82
HSD17B10 Q99714 2/20 0.82
MEN1 O00255 1/20 0.82
KMT2A Q03164 1/20 0.82
KCNH2 Q12809 6/20 0.57
POLB P06746 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
PRKD3 O94806 1/20 0.57
ALOX15 P16050 1/20 0.57
OPRM1 P35372 1/20 0.57
CLK2 P49760 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
LMNA P02545 2/20 0.47
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL30902553 0.92 KDM4E (0.82) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL28416354 0.92 KDM4E (0.82) KDM4EHPGDALDH1A1HSD17B10MEN1
Moxifloxacin SCHEMBL4774670 0.91 KDM4E (0.98) KDM4EHPGDALDH1A1HSD17B10MEN1
Moxifloxacin SCHEMBL21783209 0.91 KDM4E (0.98) KDM4EHPGDALDH1A1HSD17B10MEN1
Moxifloxacin SCHEMBL29414621 0.91 KDM4E (0.98) KDM4EHPGDALDH1A1HSD17B10MEN1
Moxifloxacin SCHEMBL24007 0.91 KDM4E (0.98) KDM4EHPGDALDH1A1HSD17B10MEN1
Moxifloxacin SCHEMBL12015472 0.91 KDM4E (0.98) KDM4EHPGDALDH1A1HSD17B10MEN1
Moxifloxacin SCHEMBL12156451 0.91 KDM4E (0.98) KDM4EHPGDALDH1A1HSD17B10MEN1
Moxifloxacin SCHEMBL15472879 0.91 KDM4E (0.98) KDM4EHPGDALDH1A1HSD17B10MEN1
Moxifloxacin SCHEMBL29356466 0.91 KDM4E (0.98) KDM4EHPGDALDH1A1HSD17B10MEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 CN claimed
CN-110974968-B Quinolone compound-containing composition and application thereof 中山万远新药研发有限公司 2021-03-26 CN claimed
CN-111514125-B Composition containing quinolone compound and edetic acid compound 中山万汉制药有限公司 2021-03-23 CN claimed
CN-111514125-A Composition containing quinolone compound and edetic acid compound 中山万汉制药有限公司 2020-08-11 CN claimed
CN-111150734-A Compositions containing mixtures of quinolinone derivatives and uses thereof 黄泳华 2020-05-15 CN claimed
CN-110974968-A Quinolone compound-containing composition and application thereof 中山万远新药研发有限公司 2020-04-10 CN claimed
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 CN disclosed
CN-111514125-B Composition containing quinolone compound and edetic acid compound 中山万汉制药有限公司 2021-03-23 CN disclosed
CN-111514125-A Composition containing quinolone compound and edetic acid compound 中山万汉制药有限公司 2020-08-11 CN disclosed
CN-111150734-A Compositions containing mixtures of quinolinone derivatives and uses thereof 黄泳华 2020-05-15 CN disclosed