SCHEMBL8811086

SCHEMBL8811086

CCc1ccc(Cn2ccc3c(C=C4SC(=O)NC4=O)cccc32)cc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.76
IGF1R P08069 2/20 0.55
PIM1 P11309 1/20 0.55
PIM2 Q9P1W9 1/20 0.55
TTR P02766 2/20 0.49
MEN1 O00255 1/20 0.49
AKR1B1 P15121 1/20 0.49
KMT2A Q03164 1/20 0.49
CISD1 Q9NZ45 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MYC P01106 1/20 0.46
MAX P61244 1/20 0.46
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL8690614 1.00 PARP1 (0.76) PARP1IGF1RPIM1PIM2TTR
SCHEMBL8813928 0.90 PARP1 (0.64) PARP1IGF1RPIM1PIM2TTR
SCHEMBL8686629 0.90 PARP1 (0.64) PARP1IGF1RPIM1PIM2TTR
SCHEMBL8685959 0.90 PARP1 (0.66) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8685962 0.90 PARP1 (0.66) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8687701 0.89 PARP1 (0.76) PARP1IGF1RPIM1PIM2TTR
SCHEMBL8811679 0.89 PARP1 (0.76) PARP1IGF1RPIM1PIM2TTR
SCHEMBL8691075 0.89 PARP1 (0.60) PARP1PIM1PIM2TTRMEN1
SCHEMBL8808793 0.89 PARP1 (0.60) PARP1PIM1PIM2TTRMEN1
SCHEMBL8812076 0.88 PARP1 (0.60) PARP1IGF1RPIM1TTRMEN1

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