SCHEMBL28408530

SCHEMBL28408530

CCOc1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1OC

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.61
GSK3B P49841 2/20 0.61
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 4/20 0.60
HPGD P15428 4/20 0.60
HSD17B10 Q99714 2/20 0.60
POLB P06746 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
PRKD3 O94806 1/20 0.60
ALOX15 P16050 1/20 0.60
OPRM1 P35372 1/20 0.60
CLK2 P49760 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 2/20 0.54
TOP2A P11388 4/20 0.53
TOP2B Q02880 4/20 0.53
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL8328397 0.89 TOP2A (0.57) KCNH2GSK3BKDM4EALDH1A1HPGD
SCHEMBL28331817 0.89 TOP2A (0.60) KCNH2GSK3BKDM4EALDH1A1HPGD
SCHEMBL14143613 0.86 KCNH2 (0.62) KCNH2GSK3BKDM4EALDH1A1HPGD
SCHEMBL29393776 0.86 KDM4E (0.65) KCNH2GSK3BKDM4EALDH1A1HPGD
SCHEMBL483223 0.86 KDM4E (0.65) KCNH2GSK3BKDM4EALDH1A1HPGD
SCHEMBL10330775 0.85 KCNH2 (0.64) KCNH2GSK3BKDM4EALDH1A1HPGD
SCHEMBL541515 0.85 KDM4E (0.64) KCNH2GSK3BKDM4EALDH1A1HPGD
SCHEMBL28424222 0.85 KDM4E (0.64) KCNH2GSK3BKDM4EALDH1A1HPGD
SCHEMBL541514 0.85 KDM4E (0.64) KCNH2GSK3BKDM4EALDH1A1HPGD
SCHEMBL5704390 0.84 KDM4E (0.63) KCNH2GSK3BKDM4EALDH1A1HPGD

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 8 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-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-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