Gemifloxacin

Gemifloxacin

SCHEMBL5656549

CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O

nearest known ligand 0.80

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 0.80
CHRM2 P08172 1/20 0.80
DRD1 P21728 1/20 0.80
KDM4E B2RXH2 5/20 0.75
LMNA P02545 5/20 0.75
HSD17B10 Q99714 4/20 0.75
ABCC4 O15439 1/20 0.75
ALDH1A1 P00352 4/20 0.59
HPGD P15428 3/20 0.59
CYP2C9 P11712 2/20 0.59
CYP1A2 P05177 1/20 0.59
TOP2A P11388 1/20 0.59
TOP2B Q02880 1/20 0.59
MAPT P10636 1/20 0.49
ATP6V1B2 P21281 1/20 0.47
TBXA2R P21731 1/20 0.47
EDNRA P25101 1/20 0.47
TARBP2 Q15633 1/20 0.47
BRD4 O60885 1/20 0.46
TSHR P16473 1/20 0.46

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
Trovafloxacin SCHEMBL5660787 0.91 DPP4 (0.65) DPP4CHRM2DRD1KDM4ELMNA
Gemifloxacin SCHEMBL2419850 0.89 DPP4 (1.00) DPP4CHRM2DRD1KDM4ELMNA
Gemifloxacin SCHEMBL136633 0.89 DPP4 (1.00) DPP4CHRM2DRD1KDM4ELMNA
Gemifloxacin SCHEMBL6930951 0.89 DPP4 (1.00) DPP4CHRM2DRD1KDM4ELMNA
Gemifloxacin SCHEMBL3252334 0.89 DPP4 (1.00) DPP4CHRM2DRD1KDM4ELMNA
Gemifloxacin SCHEMBL1444728 0.89 DPP4 (1.00) DPP4CHRM2DRD1KDM4ELMNA
Gemifloxacin SCHEMBL136634 0.89 DPP4 (1.00) DPP4CHRM2DRD1KDM4ELMNA
Gemifloxacin SCHEMBL1950144 0.89 DPP4 (1.00) DPP4CHRM2DRD1KDM4ELMNA
Gemifloxacin SCHEMBL29662144 0.89 DPP4 (1.00) DPP4CHRM2DRD1KDM4ELMNA
Gemifloxacin SCHEMBL13414391 0.89 DPP4 (1.00) DPP4CHRM2DRD1KDM4ELMNA

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 9 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-1223935-A4 METHODS OF USE OF FLUOROQUINOLONE COMPOUNDS AGAINST BACTERIA SMITHKLINE BEECHAM CORP (US) 2004-04-28 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
EP-1223935-A1 METHODS OF USE OF FLUOROQUINOLONE COMPOUNDS AGAINST BACTERIA SmithKline Beecham Corporation (US) 2002-07-24 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
WO-2001000209-A1 METHODS OF USE OF FLUOROQUINOLONE COMPOUNDS AGAINST BACTERIA SMITHKLINE BEECHAM CORPORATION (US) 2001-01-04 WO disclosed