SCHEMBL29576325

SCHEMBL29576325

Cc1c(C2=CC(=O)NC2=O)ccc(C2=CC(=O)NC2=O)c1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.36
POLB P06746 1/20 0.33
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PAX8 Q06710 1/20 0.31
GSK3B P49841 1/20 0.31
DAO P14920 1/20 0.31

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
SCHEMBL8847907 0.88 DAO (0.40) CES1POLBNSD2GSK3BDAO
SCHEMBL9064309 0.85 POLB (0.39) CES1POLBTDP2NSD2HSP90AA1
SCHEMBL710773 0.83 DAO (0.44) POLBGSK3BDAO
SCHEMBL584882 0.81 TDP2 (0.46) CES1POLBTDP2NSD2HSP90AA1
SCHEMBL29395435 0.79 GSK3B (0.39) TDP2GSK3B
SCHEMBL15741723 0.79 GSK3B (0.39) TDP2GSK3B
SCHEMBL2479846 0.79 GAA (0.46) DAO
SCHEMBL15410404 0.79 PDK2 (0.35) GSK3BDAO
SCHEMBL711313 0.78 DAO (0.43) POLBGSK3BDAO
SCHEMBL7797183 0.77 GSK3B (0.35) GSK3B

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
CN-114096598-A Thermally expandable composition comprising a chemical blowing agent SIKA技术股份公司 2022-02-25 CN disclosed