SCHEMBL1856254

SCHEMBL1856254

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

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.83
CHRM2 P08172 1/20 0.83
DRD1 P21728 1/20 0.83
LMNA P02545 3/20 0.77
KDM4E B2RXH2 2/20 0.77
HSD17B10 Q99714 2/20 0.77
ABCC4 O15439 1/20 0.77
KCNH2 Q12809 1/20 0.38
DHFR P00374 1/20 0.37
KMT2A Q03164 1/20 0.35
CYP2C9 P11712 1/20 0.35
ATP6V1B2 P21281 1/20 0.35
TBXA2R P21731 1/20 0.35
EDNRA P25101 1/20 0.35
TARBP2 Q15633 1/20 0.35
EPHA2 P29317 1/20 0.34
FLT4 P35916 1/20 0.34
GSK3B P49841 1/20 0.34
RARB P10826 1/20 0.34
TBXAS1 P24557 1/20 0.34

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
SCHEMBL5783589 1.00 DPP4 (0.83) DPP4CHRM2DRD1LMNAKDM4E
SCHEMBL6227139 1.00 DPP4 (0.83) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL6930951 0.91 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL136633 0.91 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL13414391 0.91 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL1950144 0.91 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL3252334 0.91 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL1444728 0.91 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL136634 0.91 DPP4 (1.00) DPP4CHRM2DRD1LMNAKDM4E
Gemifloxacin SCHEMBL29662144 0.91 DPP4 (1.00) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408034-B2 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents BAYER INNOVATION GMBH (DE) 2011-05-25 EP claimed
EP-1408034-B1 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents SCHULZ & SCHLIMBACH GBR (DE) 2007-08-08 EP claimed
EP-1408034-A1 Use of Quinoline derivatives as antibacterial agents Schulz & Schlimbach GbR (DE) 2004-04-14 EP claimed
EP-1244434-B1 USE OF CHEMOTHERAPEUTIC AGENTS SCHULZ & SCHLIMBACH GBR (DE) 2004-03-17 EP claimed
EP-1244434-A2 USE OF CHEMOTHERAPEUTIC AGENTS Schulz, Hans-Herrmann (DE) 2002-10-02 EP claimed
WO-2001045679-A2 USE OF CHEMOTHERAPEUTIC AGENTS FOR TOPICAL TREATMENT SCHULZ HANS HERRMANN (DE) 2001-06-28 WO claimed
EP-1408034-B2 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents BAYER INNOVATION GMBH (DE) 2011-05-25 EP disclosed
EP-1408034-B1 Use of Quinolone and Quinolizinone derivatives as chemotherapeutic agents SCHULZ & SCHLIMBACH GBR (DE) 2007-08-08 EP disclosed
EP-1408034-A1 Use of Quinoline derivatives as antibacterial agents Schulz & Schlimbach GbR (DE) 2004-04-14 EP disclosed
EP-1244434-B1 USE OF CHEMOTHERAPEUTIC AGENTS SCHULZ & SCHLIMBACH GBR (DE) 2004-03-17 EP disclosed