SCHEMBL8810698

SCHEMBL8810698

CC(C)=CCn1ccc2c(C=C3SC(=O)NC3=O)cccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.53
TTR P02766 2/20 0.53
MEN1 O00255 1/20 0.53
AKR1B1 P15121 1/20 0.53
KMT2A Q03164 1/20 0.53
NAT1 P18440 1/20 0.49
IGF1R P08069 2/20 0.48
GSK3B P49841 1/20 0.46
GSK3A P49840 1/20 0.45
PIM1 P11309 2/20 0.44
PIM2 Q9P1W9 2/20 0.44
CISD1 Q9NZ45 1/20 0.44
PIM3 Q86V86 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
SCHEMBL8810694 1.00 PARP1 (0.53) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8811840 0.92 PARP1 (0.49) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8811841 0.92 PARP1 (0.49) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8810705 0.87 PARP1 (0.41) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8686335 0.83 PARP1 (0.53) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8810955 0.83 PARP1 (0.51) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8810952 0.83 PARP1 (0.51) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8811044 0.83 PARP1 (0.53) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8685959 0.83 PARP1 (0.66) PARP1TTRMEN1AKR1B1KMT2A
SCHEMBL8685962 0.83 PARP1 (0.66) PARP1TTRMEN1AKR1B1KMT2A

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