Gemifloxacin

Gemifloxacin

SCHEMBL6930951

CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 1.00
CHRM2 P08172 1/20 1.00
DRD1 P21728 1/20 1.00
LMNA P02545 2/20 0.93
KDM4E B2RXH2 1/20 0.93
ABCC4 O15439 1/20 0.93
HSD17B10 Q99714 1/20 0.93
KCNH2 Q12809 2/20 0.47
DHFR P00374 1/20 0.46
CYP2C9 P11712 1/20 0.43
ATP6V1B2 P21281 1/20 0.43
TBXA2R P21731 1/20 0.43
EDNRA P25101 1/20 0.43
TARBP2 Q15633 1/20 0.43
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHA2 P29317 1/20 0.42
FLT4 P35916 1/20 0.42
GSK3B P49841 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 SCHEMBL136635 1.00 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL29662144 1.00 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL13414391 1.00 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL2419850 1.00 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL136634 1.00 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL3252334 1.00 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL1444728 1.00 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL1950144 1.00 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL136633 1.00 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL1948042 0.99 DPP4 (0.98) DPP4CHRM2DRD1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242079-A4 METHODS OF USE OF FLUOROQUINOLONE COMPOUNDS AGAINTS BACTERIA SMITHKLINE BEECHAM (US) 2003-01-22 EP disclosed
EP-1242079-A1 METHODS OF USE OF FLUOROQUINOLONE COMPOUNDS AGAINTS BACTERIA Smithkline Beecham (US) 2002-09-25 EP disclosed
WO-2001021176-A1 METHODS OF USE OF FLUOROQUINOLONE COMPOUNDS AGAINST BACTERIA SMITHKLINE BEECHAM CORPORATION (US) 2001-03-29 WO disclosed