SCHEMBL263554

SCHEMBL263554

CCC(=CCOc1cn(C(C)C)c2cc(NC3CCCCC3)c(F)cc2c1=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
FOXO1 Q12778 1/20 0.38
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CASP3 P42574 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30
HSD17B10 Q99714 1/20 0.30
DHODH Q02127 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
SCHEMBL4171433 0.86 MEN1 (0.47) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL4171436 0.86 MEN1 (0.47) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL4170455 0.86 MEN1 (0.49) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL14248546 0.83 MEN1 (0.48) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL263552 0.83 KMT2A (0.45) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL262802 0.80 MEN1 (0.48) MEN1GAAKMT2AFOXO1PTGS1
SCHEMBL262926 0.80 MEN1 (0.49) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL263553 0.79 MEN1 (0.47) MEN1GAAKMT2AFOXO1PTGS1
SCHEMBL263135 0.79 MEN1 (0.47) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL9277340 0.79 GAA (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