SCHEMBL262545

SCHEMBL262545

COC(=O)/C=C/CCCc1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
FOXO1 Q12778 1/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
PIK3CG P48736 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
GSK3B P49841 2/20 0.32
TOP2A P11388 2/20 0.31
TOP2B Q02880 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL4169523 0.91 MEN1 (0.46) MEN1GAAKMT2AFOXO1KDM4E
SCHEMBL4169519 0.91 MEN1 (0.46) MEN1GAAKMT2AFOXO1KDM4E
SCHEMBL263349 0.87 MEN1 (0.46) MEN1GAAKMT2AFOXO1KDM4E
SCHEMBL4180729 0.86 MEN1 (0.47) MEN1GAAKMT2AFOXO1KDM4E
SCHEMBL4180728 0.86 MEN1 (0.47) MEN1GAAKMT2AFOXO1KDM4E
SCHEMBL262447 0.86 MEN1 (0.46) MEN1GAAKMT2AFOXO1KDM4E
SCHEMBL262243 0.84 MEN1 (0.49) MEN1GAAKMT2AFOXO1KDM4E
SCHEMBL263535 0.83 MEN1 (0.48) MEN1GAAKMT2AFOXO1KDM4E
SCHEMBL263832 0.82 MEN1 (0.51) MEN1GAAKMT2AFOXO1KDM4E
SCHEMBL4172238 0.81 MEN1 (0.51) MEN1GAAKMT2AFOXO1KDM4E

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
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed