SCHEMBL5754688

SCHEMBL5754688

CN1CCC(n2cc(C=O)c(=O)c3cc(F)c(NC4CCCCC4)cc32)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR6 P50406 5/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
KAT2B Q92831 9/20 0.33
FOXO1 Q12778 1/20 0.33
LMNA P02545 3/20 0.32
HPGD P15428 3/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 1/20 0.31
TOP2A P11388 1/20 0.31
CYP2C9 P11712 1/20 0.31
TOP2B Q02880 1/20 0.31
BPTF Q12830 1/20 0.31

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
SCHEMBL262375 0.89 MEN1 (0.48) MEN1GAAKMT2AALDH1A1KDM4E
SCHEMBL27635209 0.83 KDM4E (0.52) MEN1GAAKMT2AALDH1A1KDM4E
SCHEMBL1242538 0.79 KMT2A (0.51) MEN1GAAKMT2AALDH1A1KDM4E
SCHEMBL4103702 0.78 MEN1 (0.53) MEN1GAAKMT2AALDH1A1KDM4E
SCHEMBL263849 0.78 MEN1 (0.48) MEN1GAAKMT2AALDH1A1KDM4E
SCHEMBL263848 0.78 MEN1 (0.48) MEN1GAAKMT2AALDH1A1KDM4E
SCHEMBL27635219 0.77 KDM4E (0.56) MEN1GAAKMT2AALDH1A1KDM4E
SCHEMBL27656232 0.76 MEN1 (0.54) MEN1GAAKMT2AALDH1A1KDM4E
SCHEMBL261584 0.76 MEN1 (0.45) MEN1GAAKMT2AALDH1A1KDM4E
SCHEMBL261583 0.76 MEN1 (0.45) MEN1GAAKMT2AALDH1A1KDM4E

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-1650192-A1 QUINOLONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-04-26 EP disclosed