SCHEMBL9570909

SCHEMBL9570909

COC(=O)C=CN1CCO[C@H]2CN(c3c(F)c(Br)c4c(=O)c(OC(=O)O)cn(C5CC5)c4c3F)C[C@H]21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 2/20 0.34
CACNA1F O60840 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
GSK3B P49841 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
SCHEMBL9570738 0.94 MEN1 (0.42) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9570906 0.90 MEN1 (0.47) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9570905 0.86 KCNH2 (0.40) MEN1KMT2AKCNH2POLB
SCHEMBL9570699 0.83 ALDH1A1 (0.45) MEN1KMT2AKCNH2POLBGSK3B
SCHEMBL9570903 0.79 KCNH2 (0.49) MEN1KMT2AKCNH2POLB
SCHEMBL9411048 0.78 MEN1 (0.41) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9570695 0.76 ALDH1A1 (0.55) MEN1KMT2AKCNH2POLBGSK3B
SCHEMBL6213268 0.71 KCNH2 (0.41) MEN1KMT2AKCNH2POLB
SCHEMBL8131150 0.71 MEN1 (0.39) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9411021 0.71 MEN1 (0.49) MEN1KMT2AKCNH2CACNA1FPOLB

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