SCHEMBL261963

SCHEMBL261963

CCOC(=O)/C=C/c1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
FOXO1 Q12778 1/20 0.38
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.35
CASP3 P42574 3/20 0.35
BRD4 O60885 1/20 0.34
TSHR P16473 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34

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
SCHEMBL262200 0.87 MEN1 (0.48) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL262201 0.87 MEN1 (0.48) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL263180 0.86 MEN1 (0.50) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL263181 0.86 MEN1 (0.50) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL263349 0.84 MEN1 (0.46) MEN1GAAKMT2ACNR1CNR2
SCHEMBL261584 0.82 MEN1 (0.45) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL261583 0.82 MEN1 (0.45) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL263848 0.82 MEN1 (0.48) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL263849 0.82 MEN1 (0.48) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL262375 0.81 MEN1 (0.48) 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 2 patents. 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
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP disclosed