SCHEMBL8811097

SCHEMBL8811097

CCc1ccc(Cn2ccc3c(C=C4NC(=O)SC4=O)cccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.58
IGF1R P08069 1/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
APP P05067 3/20 0.39
F2R P25116 1/20 0.38
SNCA P37840 2/20 0.37
HTR6 P50406 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35

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
SCHEMBL8813934 0.90 PARP1 (0.48) PARP1APPSNCA
SCHEMBL8685967 0.90 PARP1 (0.50) PARP1APPSNCAHTR6SIRT1
SCHEMBL8811687 0.89 PARP1 (0.58) PARP1APPSNCAHTR6
SCHEMBL8808802 0.89 CSNK2A2 (0.51) PARP1PIM1PIM2HDAC3HDAC4
SCHEMBL8812081 0.88 PARP1 (0.46) PARP1PIM1APP
SCHEMBL8811086 0.87 PARP1 (0.76) PARP1IGF1RPIM1PIM2
SCHEMBL8690614 0.87 PARP1 (0.76) PARP1IGF1RPIM1PIM2
SCHEMBL8810595 0.87 NPM1 (0.50) PARP1APPSNCA
SCHEMBL8810203 0.87 PARP1 (0.50) PARP1PIM1PIM2APP
SCHEMBL8812775 0.86 KMT2A (0.48) PARP1

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