SCHEMBL9292834

SCHEMBL9292834

Nc1c(F)c(N2CC[C@@H](n3ccnn3)C2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.62
▸ KCNH2 Q12809 2/20 0.62
▸ CACNA1F O60840 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ CACNA1D Q01668 1/20 0.62
▸ CACNA1S Q13698 1/20 0.62
▸ CACNA1C Q13936 1/20 0.62
▸ GSK3B P49841 14/20 0.52
▸ TOP2A P11388 2/20 0.52
▸ TOP2B Q02880 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43

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
SCHEMBL8135200 1.00 POLB (0.62) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL8120142 1.00 POLB (0.62) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9293012 0.95 CACNA1F (0.60) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9293699 0.95 CACNA1F (0.61) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9293277 0.94 CACNA1F (0.68) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL8130762 0.92 MEN1 (0.61) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL9292433 0.92 KCNH2 (0.53) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL8120568 0.90 MEN1 (0.52) POLBKCNH2CACNA1FMAPK1CACNA1D
SCHEMBL8136239 0.90 MEN1 (0.52) POLBKCNH2CACNA1FMAPK1CACNA1D
Hydrochloric Acid SCHEMBL9598387 0.89 CACNA1F (0.58) POLBKCNH2CACNA1FMAPK1CACNA1D

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-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 claimed
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 claimed
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
Send feedback