SCHEMBL8809361

SCHEMBL8809361

COc1cccc(Cn2ccc3c(C=C4SC(=O)NC4=O)cccc32)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.58
AKR1B1 P15121 3/20 0.53
PIM1 P11309 2/20 0.53
PIM2 Q9P1W9 2/20 0.53
GSK3B P49841 3/20 0.51
SLC2A1 P11166 1/20 0.46
PIK3CG P48736 1/20 0.46
GSK3A P49840 1/20 0.45
MEN1 O00255 1/20 0.45
TTR P02766 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ATM Q13315 1/20 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
SCHEMBL8685971 1.00 PARP1 (0.58) PARP1AKR1B1PIM1PIM2GSK3B
SCHEMBL8810069 0.93 PARP1 (0.54) PARP1AKR1B1PIM1PIM2GSK3B
SCHEMBL8810062 0.93 PARP1 (0.54) PARP1AKR1B1PIM1PIM2GSK3B
SCHEMBL8691075 0.90 PARP1 (0.60) PARP1AKR1B1PIM1PIM2GSK3B
SCHEMBL8808793 0.90 PARP1 (0.60) PARP1AKR1B1PIM1PIM2GSK3B
SCHEMBL8809369 0.89 SLC2A1 (0.46) PARP1AKR1B1PIM1PIM2SLC2A1
SCHEMBL8810629 0.89 PARP1 (0.74) PARP1AKR1B1PIM1PIM2GSK3B
SCHEMBL8690307 0.89 PARP1 (0.74) PARP1AKR1B1PIM1PIM2GSK3B
SCHEMBL8685371 0.88 PARP1 (0.62) PARP1AKR1B1PIM1PIM2SLC2A1
SCHEMBL8809167 0.88 PARP1 (0.62) PARP1AKR1B1PIM1PIM2SLC2A1

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