SCHEMBL262926

SCHEMBL262926

CCC(Oc1cn(C(C)C)c2cc(NC3CCCCC3)c(F)cc2c1=O)C(=O)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
FOXO1 Q12778 1/20 0.40
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PPARA Q07869 3/20 0.34
ALOX15 P16050 2/20 0.34
DHODH Q02127 5/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CASP3 P42574 1/20 0.33
CCR4 P51679 1/20 0.32
BRD4 O60885 1/20 0.32
PPARG P37231 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL262802 0.90 MEN1 (0.48) MEN1GAAKMT2AFOXO1PTGS1
SCHEMBL261426 0.89 MEN1 (0.44) MEN1GAAKMT2AFOXO1PPARA
SCHEMBL14248140 0.87 MEN1 (0.49) MEN1GAAKMT2AFOXO1PTGS1
SCHEMBL14248142 0.87 MEN1 (0.49) MEN1GAAKMT2AFOXO1PTGS1
SCHEMBL263553 0.86 MEN1 (0.47) MEN1GAAKMT2AFOXO1PTGS1
SCHEMBL4170455 0.84 MEN1 (0.49) MEN1GAAKMT2AFOXO1PTGS1
SCHEMBL9277340 0.82 GAA (0.48) MEN1GAAKMT2AFOXO1MAPK1
SCHEMBL14248546 0.81 MEN1 (0.48) MEN1GAAKMT2AFOXO1PTGS1
SCHEMBL4171436 0.81 MEN1 (0.47) MEN1GAAKMT2AFOXO1PTGS1
SCHEMBL4171433 0.81 MEN1 (0.47) MEN1GAAKMT2AFOXO1PTGS1

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