SCHEMBL6561367

SCHEMBL6561367

C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(OC(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.74
POLB P06746 2/20 0.74
CACNA1F O60840 1/20 0.74
MAPK1 P28482 1/20 0.74
CACNA1D Q01668 1/20 0.74
CACNA1S Q13698 1/20 0.74
CACNA1C Q13936 1/20 0.74
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
GSK3B P49841 12/20 0.43
TOP2A P11388 2/20 0.42
TOP2B Q02880 2/20 0.42
KDM4E B2RXH2 1/20 0.40
PRKD3 O94806 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
OPRM1 P35372 1/20 0.40
CLK2 P49760 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL8190975 1.00 KCNH2 (0.74) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9435683 0.92 MEN1 (0.72) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL10679416 0.92 MEN1 (0.72) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9875522 0.90 KCNH2 (0.60) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL9209179 0.90 KCNH2 (0.60) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL10679566 0.88 KCNH2 (0.57) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL10686830 0.86 CACNA1F (0.54) KCNH2POLBCACNA1FMAPK1CACNA1D
SCHEMBL10680718 0.85 POLB (0.54) KCNH2POLBCACNA1FMAPK1CACNA1D
Sparfloxacin SCHEMBL41311 0.85 KCNH2 (1.00) KCNH2POLBCACNA1FMAPK1CACNA1D
Sparfloxacin SCHEMBL1387460 0.85 KCNH2 (1.00) KCNH2POLBCACNA1FMAPK1CACNA1D

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-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-0342649-B1 Improved process for the preparation of 5-amino-7-(substituted amino)-quinoline-3-carboxylic acids WARNER LAMBERT CO (US) 1994-11-30 EP claimed
EP-0409254-B1 RAPID-RELEASING ORAL PARTICLE PHARMACEUTICAL PREPARATION WITH UNPLEASANT TASTE MASKED DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP claimed
EP-1408034-A1 Use of Quinoline derivatives as antibacterial agents Schulz & Schlimbach GbR (DE) 2004-04-14 EP disclosed
EP-1244434-A2 USE OF CHEMOTHERAPEUTIC AGENTS Schulz, Hans-Herrmann (DE) 2002-10-02 EP disclosed
WO-2001045679-A2 USE OF CHEMOTHERAPEUTIC AGENTS FOR TOPICAL TREATMENT SCHULZ HANS HERRMANN (DE) 2001-06-28 WO disclosed
EP-0284935-A1 5-Substituted quinolone- and naphthyridone carboxylic acid derivatives BAYER AG (DE) 1988-10-05 EP disclosed