SCHEMBL8327191

SCHEMBL8327191

C=Cc1c(F)c(F)c(F)c2c1c(=O)c(OC(=O)O)cn2C1CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TOP2A P11388 6/20 0.36
▸ TOP2B Q02880 6/20 0.36
▸ GSK3B P49841 9/20 0.36
▸ POLB P06746 2/20 0.35
▸ CACNA1F O60840 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CACNA1D Q01668 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CACNA1S Q13698 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32

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
SCHEMBL6216986 0.87 MEN1 (0.46) MEN1KMT2ATOP2ATOP2BGSK3B
SCHEMBL6216507 0.83 TOP2A (0.39) MEN1KMT2ATOP2ATOP2BGSK3B
SCHEMBL9231288 0.83 POLB (0.47) MEN1KMT2ATOP2ATOP2BGSK3B
SCHEMBL9234530 0.83 ALDH1A1 (0.42) MEN1KMT2ATOP2ATOP2BGSK3B
SCHEMBL9233385 0.83 MEN1 (0.43) MEN1KMT2ATOP2ATOP2BGSK3B
SCHEMBL8327189 0.82 MEN1 (0.54) MEN1KMT2ATOP2ATOP2BGSK3B
SCHEMBL6213897 0.82 GSK3B (0.49) MEN1KMT2ATOP2ATOP2BGSK3B
SCHEMBL8131150 0.82 MEN1 (0.39) MEN1KMT2ATOP2ATOP2BGSK3B
SCHEMBL9047018 0.82 TOP2A (0.42) MEN1KMT2ATOP2ATOP2BGSK3B
SCHEMBL9231645 0.82 MEN1 (0.36) MEN1KMT2ATOP2ATOP2BGSK3B

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
EP-0671391-A1 5-Vinyl- and 5-ethinyl-quinolinone- and -naphthyridone-carboxylic acids BAYER AG (DE) 1995-09-13 — — EP claimed
EP-0705828-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1999-12-01 — — EP disclosed
EP-0705828-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-04-10 — — EP disclosed
EP-0671391-A1 5-Vinyl- and 5-ethinyl-quinolinone- and -naphthyridone-carboxylic acids BAYER AG (DE) 1995-09-13 — — EP disclosed
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