SCHEMBL8809286

SCHEMBL8809286

CC(C)=CCCn1cc(/C=C2\SC(=O)NC2=O)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.63
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TTR P02766 2/20 0.46
AKR1B1 P15121 1/20 0.46
NAT1 P18440 1/20 0.45
GSK3B P49841 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.44

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
SCHEMBL8809292 1.00 PARP1 (0.63) PARP1MEN1KMT2AMAPTALDH1A1
SCHEMBL8809303 0.87 PARP1 (0.48) PARP1MEN1KMT2AMAPTALDH1A1
SCHEMBL8811840 0.86 PARP1 (0.49) PARP1MEN1KMT2AMAPTALDH1A1
SCHEMBL8811841 0.86 PARP1 (0.49) PARP1MEN1KMT2AMAPTALDH1A1
SCHEMBL1250177 0.83 PARP1 (0.62) PARP1MEN1KMT2AMAPTALDH1A1
SCHEMBL12892101 0.83 PARP1 (0.62) PARP1MEN1KMT2AMAPTALDH1A1
SCHEMBL1250179 0.83 PARP1 (0.62) PARP1MEN1KMT2AMAPTALDH1A1
SCHEMBL8686373 0.81 PARP1 (0.67) PARP1MEN1KMT2AMAPTALDH1A1
SCHEMBL8686376 0.81 PARP1 (0.67) PARP1MEN1KMT2AMAPTALDH1A1
SCHEMBL8810698 0.80 PARP1 (0.53) PARP1MEN1KMT2ATTRAKR1B1

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