Gemifloxacin

Gemifloxacin

SCHEMBL5658681

CON=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1CN.CON=C1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1CN.CS(=O)(=O)O.CS(=O)(=O)O.O

nearest known ligand 0.98

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
LMNA P02545 3/20 0.98
KDM4E B2RXH2 2/20 0.98
HSD17B10 Q99714 2/20 0.98
ABCC4 O15439 1/20 0.98
DPP4 P27487 6/20 0.91
CHRM2 P08172 1/20 0.91
DRD1 P21728 1/20 0.91
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
NFKB1 P19838 1/20 0.46
HTT P42858 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KCNH2 Q12809 1/20 0.44
DHFR P00374 1/20 0.43
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 1/20 0.40
ATP6V1B2 P21281 1/20 0.40

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 SCHEMBL3281156 1.00 LMNA (0.98) LMNAKDM4EHSD17B10ABCC4DPP4
Gemifloxacin SCHEMBL3281159 1.00 LMNA (0.98) LMNAKDM4EHSD17B10ABCC4DPP4
Gemifloxacin SCHEMBL5658679 1.00 LMNA (0.98) LMNAKDM4EHSD17B10ABCC4DPP4
Gemifloxacin SCHEMBL5661708 1.00 LMNA (0.98) LMNAKDM4EHSD17B10ABCC4DPP4
Gemifloxacin SCHEMBL5661711 1.00 LMNA (0.98) LMNAKDM4EHSD17B10ABCC4DPP4
Gemifloxacin SCHEMBL2421087 0.99 LMNA (1.00) LMNAKDM4EHSD17B10ABCC4DPP4
Gemifloxacin SCHEMBL136827 0.99 LMNA (1.00) LMNAKDM4EHSD17B10ABCC4DPP4
Gemifloxacin SCHEMBL3141327 0.99 LMNA (1.00) LMNAKDM4EHSD17B10ABCC4DPP4
Gemifloxacin SCHEMBL1237121 0.99 LMNA (1.00) LMNAKDM4EHSD17B10ABCC4DPP4
Gemifloxacin SCHEMBL29408809 0.99 LMNA (1.00) LMNAKDM4EHSD17B10ABCC4DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401440-A4 METHODS OF USE OF FLUOROQUINOLONE COMPOUNDS AGAINST BACTERIA LG LIFE SCIENCES LTD (KR) 2006-07-05 EP disclosed
EP-1561465-A2 Methods of use of fluoroquinolone compounds against bacteria LG Life Sciences, Ltd. (KR) 2005-08-10 EP disclosed
EP-1401440-A1 METHODS OF USE OF FLUOROQUINOLONE COMPOUNDS AGAINST BACTERIA Smithkline Beecham (US) 2004-03-31 EP disclosed
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
WO-2001015695-A1 METHODS OF USE OF FLUOROQUINOLONE COMPOUNDS AGAINST BACTERIA SMITHKLINE BEECHAM CORPORATION (US) 2001-03-08 WO disclosed