SCHEMBL28890843

SCHEMBL28890843

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.65
ALDH1A1 P00352 5/20 0.65
HPGD P15428 4/20 0.65
HSD17B10 Q99714 2/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
KCNH2 Q12809 4/20 0.63
TDP1 Q9NUW8 3/20 0.63
POLB P06746 3/20 0.63
OPRM1 P35372 2/20 0.63
PRKD3 O94806 1/20 0.63
ALOX15 P16050 1/20 0.63
CLK2 P49760 1/20 0.63
CLK4 Q9HAZ1 1/20 0.63
LMNA P02545 2/20 0.57
ATM Q13315 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP2C19 P33261 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GSK3B P49841 1/20 0.48

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
SCHEMBL10123961 0.92 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL14010271 0.91 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL14749181 0.89 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL680655 0.89 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL30388535 0.89 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL28417070 0.88 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL25379385 0.88 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL30306072 0.88 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL14010178 0.87 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL28408497 0.87 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10MEN1

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