SCHEMBL8811045

SCHEMBL8811045

CC(C)=CCCC(C)n1ccc2c(C=C3NC(=O)SC3=O)cccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
PARP1 P09874 4/20 0.33
CSNK2A2 P19784 1/20 0.32
CLK1 P49759 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
IGF1R P08069 1/20 0.31
TTR P02766 1/20 0.31
AKR1B1 P15121 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8811035 0.89 TTR (0.45) MEN1KMT2APARP1IGF1RTTR
SCHEMBL8811029 0.89 TTR (0.45) MEN1KMT2APARP1IGF1RTTR
SCHEMBL8811843 0.82 PARP1 (0.37) MEN1KMT2APARP1CSNK2A2CLK1
SCHEMBL8810705 0.81 PARP1 (0.41) MEN1KMT2APARP1CSNK2A2CLK1
SCHEMBL8691078 0.79 PTPN1 (0.34) KMT2AALDH1A1
SCHEMBL8811257 0.78 MEN1 (0.40) MEN1KMT2APARP1CSNK2A2CLK1
SCHEMBL8810448 0.75 MEN1 (0.38) MEN1KMT2APARP1CSNK2A2CLK1
SCHEMBL8685568 0.74 KMT2A (0.45) MEN1KMT2APARP1CSNK2A2CLK1
SCHEMBL8808805 0.73 CA2 (0.37) ALDH1A1GAAMAPT
SCHEMBL8808814 0.73

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-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed