SCHEMBL8135591

SCHEMBL8135591

Nc1c(F)c(N2CC(O)C(n3ccnn3)C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CACNA1F O60840 1/20 0.63
▸ POLB P06746 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ CACNA1D Q01668 1/20 0.63
▸ KCNH2 Q12809 1/20 0.63
▸ CACNA1S Q13698 1/20 0.63
▸ CACNA1C Q13936 1/20 0.63
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ GSK3B P49841 16/20 0.51
▸ TOP2A P11388 2/20 0.51
▸ TOP2B Q02880 2/20 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
SCHEMBL8135598 1.00 CACNA1F (0.63) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL8135582 1.00 CACNA1F (0.63) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL8132455 0.92 CACNA1F (0.63) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL8132466 0.92 CACNA1F (0.63) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL8132476 0.92 CACNA1F (0.63) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9293277 0.91 CACNA1F (0.68) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL8120142 0.86 POLB (0.62) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9292834 0.86 POLB (0.62) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL8135200 0.86 POLB (0.62) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL9293699 0.86 CACNA1F (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0561850-B1 7-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS NAEJA PHARMACEUTICAL INC (CA) 2000-07-12 — — EP disclosed
US-5342846-A 7-substituted-6-fluoro-1,4-dihydro-4-oxo-quinoline-3-carboxylic acid compounds and 7-(substituted triazolyl pyrrolidin-1-yl) 4-oxoquinoline-3-carboxylic acid derivatives useful as antibacterial agents SYNPHAR LABORATORIES, INC. (CA) 1994-08-30 — — US disclosed
WO-1993024481-A1 7-SUBSTITUTED-6-FLUORO-1,4-DIHYDRO-4-OXO-QUINOLINE-3-CARBOXYLIC ACID COMPOUNDS AND RELATED COMPOUNDS AS ANTIBACTERIAL AGENTS SYNPHAR LABORATORIES, INC. (CA) 1993-12-09 — — WO disclosed
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