SCHEMBL8810705

SCHEMBL8810705

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.41
TTR P02766 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
AKR1B1 P15121 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CLK1 P49759 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
ABCC2 Q92887 1/20 0.36
IGF1R P08069 1/20 0.35
NAT1 P18440 1/20 0.34
ICMT O60725 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL8811843 0.91 PARP1 (0.37) PARP1TTRMEN1KMT2AAKR1B1
SCHEMBL8810698 0.87 PARP1 (0.53) PARP1TTRMEN1KMT2AAKR1B1
SCHEMBL8810694 0.87 PARP1 (0.53) PARP1TTRMEN1KMT2AAKR1B1
SCHEMBL8810967 0.82 PARP1 (0.38) PARP1TTRMEN1KMT2AAKR1B1
SCHEMBL8811049 0.82 PARP1 (0.39) PARP1TTRMEN1KMT2AAKR1B1
SCHEMBL8685967 0.82 PARP1 (0.50) PARP1MEN1KMT2AALDH1A1MAPT
SCHEMBL8811045 0.81 MEN1 (0.34) PARP1TTRMEN1KMT2AAKR1B1
SCHEMBL8811097 0.81 PARP1 (0.58) PARP1CSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL8685872 0.81 PARP1 (0.39) PARP1CSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL8811242 0.81 CNR1 (0.41) 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