SCHEMBL8131395

SCHEMBL8131395

Cc1cn(C2CCN(c3c(F)c(C)c4c(=O)c(C(=O)O)cn(C5CC5)c4c3F)C2)nn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ KCNH2 Q12809 7/20 0.50
▸ POLB P06746 3/20 0.50
▸ CACNA1F O60840 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CACNA1D Q01668 1/20 0.50
▸ CACNA1S Q13698 1/20 0.50
▸ CACNA1C Q13936 1/20 0.50
▸ TOP2A P11388 5/20 0.49
▸ TOP2B Q02880 5/20 0.49
▸ GSK3B P49841 2/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ OPRM1 P35372 2/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.40
▸ PRKD3 O94806 1/20 0.40

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
SCHEMBL8120242 0.91 KCNH2 (0.62) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8133612 0.88 MEN1 (0.49) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8136239 0.87 MEN1 (0.52) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8132017 0.85 MEN1 (0.52) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8129298 0.85 KCNH2 (0.58) KCNH2POLBTOP2ATOP2BALDH1A1
Ammonia Solution, Strong SCHEMBL8131738 0.84 KCNH2 (0.57) KCNH2POLBTOP2ATOP2BALDH1A1
SCHEMBL9293428 0.83 KCNH2 (0.53) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8131562 0.83 POLB (0.63) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8110587 0.82 POLB (0.61) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9292952 0.82 MEN1 (0.51) MEN1KMT2AKCNH2POLBCACNA1F

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
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
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