SCHEMBL8810593

SCHEMBL8810593

N#Cc1ccc(Cn2ccc3c(C=C4SC(=O)NC4=O)cccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.57
NPM1 P06748 1/20 0.52
MEN1 O00255 1/20 0.46
TTR P02766 1/20 0.46
AKR1B1 P15121 1/20 0.46
KMT2A Q03164 1/20 0.46
CNR2 P34972 1/20 0.45
APP P05067 2/20 0.44
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
PIK3CG P48736 1/20 0.42
SNCA P37840 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.41
DHFR P00374 1/20 0.41
SLC2A1 P11166 1/20 0.41

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
SCHEMBL8690518 1.00 PARP1 (0.57) PARP1NPM1MEN1TTRAKR1B1
SCHEMBL8810605 0.90 PARP1 (0.58) PARP1NPM1MEN1TTRAKR1B1
SCHEMBL8686643 0.90 PARP1 (0.58) PARP1NPM1MEN1TTRAKR1B1
SCHEMBL8810595 0.88 NPM1 (0.50) PARP1NPM1KMT2ACNR2APP
SCHEMBL8686629 0.88 PARP1 (0.64) PARP1MEN1TTRAKR1B1KMT2A
SCHEMBL8813928 0.88 PARP1 (0.64) PARP1MEN1TTRAKR1B1KMT2A
SCHEMBL8685962 0.87 PARP1 (0.66) PARP1MEN1TTRAKR1B1KMT2A
SCHEMBL8685959 0.87 PARP1 (0.66) PARP1MEN1TTRAKR1B1KMT2A
SCHEMBL8685201 0.87 PARP1 (0.76) PARP1NPM1MEN1TTRAKR1B1
SCHEMBL8808565 0.87 PARP1 (0.76) PARP1NPM1MEN1TTRAKR1B1

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