SCHEMBL9687739

SCHEMBL9687739

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
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
GSK3B P49841 16/20 0.61
TOP2A P11388 2/20 0.58
TOP2B Q02880 2/20 0.58
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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 0.88 GSK3B (0.68) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9688634 0.87 MEN1 (0.53) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL1345769 0.87 GSK3B (0.70) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9687667 0.85 KCNH2 (0.58) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9688213 0.84 GSK3B (0.64) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL500723 0.83 GSK3B (0.66) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9162172 0.83 CACNA1F (0.64) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9687923 0.83 GSK3B (0.63) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9741615 0.83 GSK3B (0.53) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9688711 0.83 MEN1 (0.52) CACNA1FPOLBMAPK1CACNA1DKCNH2

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
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