SCHEMBL5755124

SCHEMBL5755124

CC(C)(C)C(=O)OCC(COC(=O)C(C)(C)C)(CP(=O)(O)O)NC(=O)c1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.33
TOP2A P11388 1/20 0.33
CYP2C9 P11712 1/20 0.33
TOP2B Q02880 1/20 0.33
FOXO1 Q12778 1/20 0.33
PIK3CG P48736 4/20 0.32
PIK3CD O00329 2/20 0.32
PIK3R1 P27986 2/20 0.32
PIK3CA P42336 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CNR1 P21554 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
SCHEMBL1243348 0.83 MEN1 (0.47) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL1243343 0.81 MEN1 (0.47) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL5755118 0.80 MEN1 (0.47) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL1243143 0.78 MEN1 (0.56) MEN1KMT2AGAAKDM4EALDH1A1
Bromide SCHEMBL1243136 0.77 MEN1 (0.55) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL27656231 0.77 MEN1 (0.57) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL263654 0.76 MEN1 (0.59) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL1242575 0.76 MEN1 (0.54) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL262257 0.75 KDM4E (0.58) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL262069 0.75 MEN1 (0.59) MEN1KMT2AGAAKDM4EALDH1A1

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