SCHEMBL8810967

SCHEMBL8810967

CC#CCn1ccc2c(C=C3NC(=O)SC3=O)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.38
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
POLB P06746 2/20 0.36
HSP90AA1 P07900 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CLK1 P49759 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
TTR P02766 2/20 0.34
AKR1B1 P15121 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8810955 0.87 PARP1 (0.51) PARP1MEN1KMT2ATTRAKR1B1
SCHEMBL8810952 0.87 PARP1 (0.51) PARP1MEN1KMT2ATTRAKR1B1
SCHEMBL8810770 0.86 MEN1 (0.51) PARP1MEN1KMT2APOLBHSP90AA1
SCHEMBL8810705 0.82 PARP1 (0.41) PARP1MEN1KMT2ACSNK2A2CLK1
SCHEMBL8811049 0.80 PARP1 (0.39) PARP1MEN1KMT2APOLBCSNK2A2
SCHEMBL8685967 0.80 PARP1 (0.50) PARP1MEN1KMT2APOLBHSP90AA1
SCHEMBL8685872 0.80 PARP1 (0.39) PARP1CSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL8811097 0.80 PARP1 (0.58) PARP1CSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL8811242 0.79 CNR1 (0.41) PARP1MEN1KMT2ACSNK2A2CLK1
SCHEMBL8685568 0.79 KMT2A (0.45) PARP1MEN1KMT2ACSNK2A2CLK1

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