SCHEMBL10146400

SCHEMBL10146400

O=C(O)COc1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
FOXO1 Q12778 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.38
GSK3B P49841 1/20 0.38
CYP1A2 P05177 1/20 0.37
TOP2A P11388 1/20 0.37
CYP2C9 P11712 1/20 0.37
TOP2B Q02880 1/20 0.37
PTGDR Q13258 1/20 0.36
PIK3CG P48736 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTT P42858 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
SCHEMBL262975 0.92 MEN1 (0.50) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL14248104 0.91 MEN1 (0.49) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL4169061 0.89 MEN1 (0.46) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL4169053 0.89 MEN1 (0.46) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL14248206 0.89 MEN1 (0.49) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL260972 0.88 MEN1 (0.46) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL260970 0.87 MEN1 (0.47) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL260971 0.87 MEN1 (0.47) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL263477 0.86 MEN1 (0.48) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL4170455 0.85 MEN1 (0.49) MEN1GAAKMT2AFOXO1ALDH1A1

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-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP disclosed