SCHEMBL262124

SCHEMBL262124

O=C(OCc1ccccc1)[C@H](Cc1ccccc1)Oc1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
DHODH Q02127 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CASP3 P42574 1/20 0.34
FOXO1 Q12778 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GSK3B P49841 1/20 0.34
S1PR3 Q99500 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 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
SCHEMBL261310 0.92 MEN1 (0.44) MEN1KMT2AGAAALOX15KDM4E
SCHEMBL14248432 0.83 MEN1 (0.48) MEN1KMT2AGAAALOX15KDM4E
SCHEMBL14248142 0.83 MEN1 (0.49) MEN1KMT2AGAAALOX15KDM4E
SCHEMBL14248140 0.83 MEN1 (0.49) MEN1KMT2AGAAALOX15KDM4E
SCHEMBL14248570 0.82 MEN1 (0.51) MEN1KMT2AGAAALOX15KDM4E
SCHEMBL261426 0.81 MEN1 (0.44) MEN1KMT2AGAAALOX15DHODH
SCHEMBL14248150 0.81 MEN1 (0.48) MEN1KMT2AGAAKDM4EPIK3CD
SCHEMBL261692 0.81 MEN1 (0.48) MEN1KMT2AGAAKDM4EPIK3CD
SCHEMBL14248443 0.79 MEN1 (0.48) MEN1KMT2AGAAKDM4EPIK3CD
SCHEMBL14247997 0.79 MEN1 (0.49) MEN1KMT2AGAAALOX15KDM4E

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