SCHEMBL9688663

SCHEMBL9688663

Nc1c(F)c(Cl)nc2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 2/20 0.55
▸ TOP2B Q02880 2/20 0.55
▸ GSK3B P49841 16/20 0.53
▸ CACNA1F O60840 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CACNA1D Q01668 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ CACNA1S Q13698 1/20 0.51
▸ CACNA1C Q13936 1/20 0.51
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL5874340 0.87 TOP2A (0.53) TOP2ATOP2BGSK3BCACNA1FPOLB
SCHEMBL9088413 0.83 TOP2A (0.48) TOP2ATOP2BGSK3BCACNA1FPOLB
SCHEMBL9278706 0.81 TOP2A (0.44) TOP2ATOP2BGSK3BCACNA1FPOLB
SCHEMBL10687663 0.79 RPS6KB1 (0.53) TOP2ATOP2BGSK3BCACNA1FPOLB
SCHEMBL9162172 0.79 CACNA1F (0.64) TOP2ATOP2BGSK3BCACNA1FPOLB
SCHEMBL5704411 0.79 GSK3B (0.66) TOP2ATOP2BGSK3BCACNA1FPOLB
SCHEMBL9689537 0.78 GSK3B (0.68) TOP2ATOP2BGSK3BCACNA1FPOLB
SCHEMBL10683627 0.78 TOP2A (0.47) TOP2ATOP2BGSK3BCACNA1FPOLB
SCHEMBL10683888 0.77 KCNH2 (0.50) TOP2ATOP2BGSK3BCACNA1FPOLB
SCHEMBL1345769 0.77 GSK3B (0.70) TOP2ATOP2BGSK3BCACNA1FPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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