SCHEMBL9570859

SCHEMBL9570859

CCOC(=O)C=C(C(=O)OCC)N1CCO[C@@H]2CN(c3c(F)c(F)c4c(=O)c(OC(=O)O)cn(C5CC5)c4c3F)C[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CACNA1F O60840 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
CACNA1D Q01668 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
TOP2A P11388 1/20 0.30
TOP2B Q02880 1/20 0.30

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
SCHEMBL9570855 0.90 MEN1 (0.51) MEN1KMT2ACACNA1FPOLBMAPK1
SCHEMBL9570738 0.79 MEN1 (0.42) MEN1KMT2ACACNA1FPOLBMAPK1
SCHEMBL9411094 0.75 MEN1 (0.49) MEN1KMT2ACACNA1FPOLBMAPK1
SCHEMBL9411021 0.75 MEN1 (0.49) MEN1KMT2ACACNA1FPOLBMAPK1
SCHEMBL9570909 0.73 MEN1 (0.35) MEN1KMT2ACACNA1FPOLBMAPK1
SCHEMBL10679796 0.73 MEN1 (0.50) MEN1KMT2ACACNA1FPOLBMAPK1
SCHEMBL10679936 0.72 MEN1 (0.56) MEN1KMT2ACACNA1FPOLBMAPK1
SCHEMBL10679869 0.71 MEN1 (0.53) MEN1KMT2ACACNA1FPOLBMAPK1
SCHEMBL10682678 0.71 MEN1 (0.48) MEN1KMT2ACACNA1FPOLBMAPK1
SCHEMBL10679416 0.71 MEN1 (0.72) MEN1KMT2ACACNA1FPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0550903-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1993-07-14 EP disclosed