SCHEMBL9570906

SCHEMBL9570906

COC(=O)/C=C/N1CCO[C@H]2CN(c3c(F)c(Br)c4c(=O)c(C(=O)O)cn(C5CC5)c4c3F)C[C@H]21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KCNH2 Q12809 4/20 0.44
POLB P06746 2/20 0.44
CACNA1F O60840 1/20 0.44
MAPK1 P28482 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
GSK3B P49841 8/20 0.40
TOP2A P11388 2/20 0.37
TOP2B Q02880 2/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PRKD3 O94806 1/20 0.36
ALOX15 P16050 1/20 0.36
OPRM1 P35372 1/20 0.36
CLK2 P49760 1/20 0.36

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
SCHEMBL9570909 0.90 MEN1 (0.35) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9570903 0.86 KCNH2 (0.49) MEN1KMT2AKCNH2POLBTOP2A
SCHEMBL9570738 0.83 MEN1 (0.42) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9570695 0.83 ALDH1A1 (0.55) MEN1KMT2AKCNH2POLBGSK3B
SCHEMBL9570905 0.77 KCNH2 (0.40) MEN1KMT2AKCNH2POLBTOP2A
SCHEMBL8982837 0.76 MEN1 (0.56) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9570699 0.74 ALDH1A1 (0.45) MEN1KMT2AKCNH2POLBGSK3B
SCHEMBL8852507 0.72 MEN1 (0.59) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9570855 0.72 MEN1 (0.51) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9570694 0.69 ALDH1A1 (0.57) MEN1KMT2AKCNH2POLBKDM4E

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