SCHEMBL9689327

SCHEMBL9689327

CNc1c(F)c(F)c(Br)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TOP2A P11388 4/20 0.49
TOP2B Q02880 4/20 0.49
CACNA1F O60840 1/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
CACNA1D Q01668 1/20 0.48
KCNH2 Q12809 1/20 0.48
CACNA1S Q13698 1/20 0.48
CACNA1C Q13936 1/20 0.48

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
SCHEMBL9688639 0.90 GSK3B (0.60) GSK3BMEN1KMT2ATOP2ATOP2B
SCHEMBL9687713 0.86 GSK3B (0.54) GSK3BMEN1KMT2ATOP2ATOP2B
SCHEMBL12674057 0.85 GSK3B (0.63) GSK3BMEN1KMT2ATOP2ATOP2B
SCHEMBL9741615 0.84 GSK3B (0.53) GSK3BMEN1KMT2ATOP2ATOP2B
SCHEMBL1345439 0.84 GSK3B (0.55) GSK3BMEN1KMT2ATOP2ATOP2B
SCHEMBL9689387 0.83 MEN1 (0.52) GSK3BMEN1KMT2ATOP2ATOP2B
SCHEMBL9687923 0.82 GSK3B (0.63) GSK3BMEN1KMT2ATOP2ATOP2B
SCHEMBL9688241 0.82 MEN1 (0.51) GSK3BMEN1KMT2ATOP2ATOP2B
SCHEMBL9689884 0.82 MEN1 (0.53) GSK3BMEN1KMT2ATOP2ATOP2B
SCHEMBL8097562 0.81 MEN1 (0.57) GSK3BMEN1KMT2ATOP2ATOP2B

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 4 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
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