Gemifloxacin

Gemifloxacin

SCHEMBL6252041

CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

gyrAgyrBparCparE

The experimentally established mechanism targets of Gemifloxacin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.75
CHRM2 P08172 1/20 0.75
DRD1 P21728 1/20 0.75
KDM4E B2RXH2 2/20 0.70
HSD17B10 Q99714 2/20 0.70
ABCC4 O15439 1/20 0.70
LMNA P02545 1/20 0.70
KCNH2 Q12809 3/20 0.59
POLB P06746 2/20 0.59
CACNA1F O60840 1/20 0.59
MAPK1 P28482 1/20 0.59
CACNA1D Q01668 1/20 0.59
CACNA1S Q13698 1/20 0.59
CACNA1C Q13936 1/20 0.59
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TOP2A P11388 2/20 0.43
TOP2B Q02880 2/20 0.43
PRKD3 O94806 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
Gemifloxacin SCHEMBL2419850 0.86 DPP4 (1.00) DPP4CHRM2DRD1KDM4EHSD17B10
Gemifloxacin SCHEMBL13414391 0.86 DPP4 (1.00) DPP4CHRM2DRD1KDM4EHSD17B10
Gemifloxacin SCHEMBL136633 0.86 DPP4 (1.00) DPP4CHRM2DRD1KDM4EHSD17B10
Gemifloxacin SCHEMBL136634 0.86 DPP4 (1.00) DPP4CHRM2DRD1KDM4EHSD17B10
Gemifloxacin SCHEMBL29662144 0.86 DPP4 (1.00) DPP4CHRM2DRD1KDM4EHSD17B10
Gemifloxacin SCHEMBL1444728 0.86 DPP4 (1.00) DPP4CHRM2DRD1KDM4EHSD17B10
Gemifloxacin SCHEMBL1950144 0.86 DPP4 (1.00) DPP4CHRM2DRD1KDM4EHSD17B10
Gemifloxacin SCHEMBL3252334 0.86 DPP4 (1.00) DPP4CHRM2DRD1KDM4EHSD17B10
Gemifloxacin SCHEMBL6930951 0.86 DPP4 (1.00) DPP4CHRM2DRD1KDM4EHSD17B10
Gemifloxacin SCHEMBL136635 0.86 DPP4 (1.00) DPP4CHRM2DRD1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1561465-A2 Methods of use of fluoroquinolone compounds against bacteria LG Life Sciences, Ltd. (KR) 2005-08-10 EP disclosed