SCHEMBL9687923

SCHEMBL9687923

Nc1c(F)c(F)c(Br)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.63
CACNA1F O60840 1/20 0.61
POLB P06746 1/20 0.61
MAPK1 P28482 1/20 0.61
CACNA1D Q01668 1/20 0.61
KCNH2 Q12809 1/20 0.61
CACNA1S Q13698 1/20 0.61
CACNA1C Q13936 1/20 0.61
TOP2A P11388 2/20 0.60
TOP2B Q02880 2/20 0.60
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL9689537 0.90 GSK3B (0.68) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL1345769 0.89 GSK3B (0.70) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL9689387 0.86 MEN1 (0.52) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL9688213 0.86 GSK3B (0.64) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL500723 0.85 GSK3B (0.66) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL9162172 0.85 CACNA1F (0.64) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL12673590 0.85 GSK3B (0.69) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL12131068 0.84 GSK3B (0.69) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL8097562 0.84 MEN1 (0.57) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL9687739 0.83 CACNA1F (0.61) GSK3BCACNA1FPOLBMAPK1CACNA1D

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
US-5097032-A Quinoline- and naphthyridine carboxylic acids, salts WARNER-LAMBERT COMPANY (US) 1992-03-17 US claimed
EP-0265230-A1 Substituted-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids, derivatives thereof, pharmaceutical compositions comprising the compounds, and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1988-04-27 EP claimed
US-5097032-A Quinoline- and naphthyridine carboxylic acids, salts WARNER-LAMBERT COMPANY (US) 1992-03-17 US disclosed
EP-0265230-B1 SUBSTITUTED-6-FLUORO-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACIDS, DERIVATIVES THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUNDS, AND PROCESSES FOR PRODUCING THE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1992-01-08 EP disclosed
EP-0226961-B1 5-AMINO AND 5-HYDROXY-6,8-DIFLUOROQUINOLONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1991-06-12 EP disclosed
US-4977154-A 7-PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1990-12-11 US disclosed
US-4822801-A 4-oxo-1,4-dihydroquinoline-3-carboxylic acid derivative as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-04-18 US disclosed
EP-0265230-A1 Substituted-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acids, derivatives thereof, pharmaceutical compositions comprising the compounds, and processes for producing the compounds WARNER-LAMBERT COMPANY (US) 1988-04-27 EP disclosed
EP-0226961-A1 5-Amino and 5-hydroxy-6,8-difluoroquinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1987-07-01 EP disclosed