SCHEMBL28007019

SCHEMBL28007019

CC(OC(=O)C(C)(C)C)c1csc(C2CCNCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BAZ2A Q9UIF9 3/20 0.41
AOC3 Q16853 1/20 0.40
HPGDS O60760 1/20 0.37
PLAT P00750 5/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
TMIGD3 P0DMS9 1/20 0.32
ADORA1 P30542 1/20 0.32
SHMT1 P34896 1/20 0.31
SHMT2 P34897 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE7A Q13946 1/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
PTPRB P23467 1/20 0.30

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
SCHEMBL27873725 0.77 AOC3 (0.50) BAZ2AAOC3HPGDSSHMT1SHMT2
SCHEMBL27789534 0.76 MEN1 (0.33) BAZ2APLATMEN1KMT2A
SCHEMBL27629638 0.76 AOC3 (0.41) BAZ2AAOC3HPGDSPLATGSK3B
Tert-Butyl Formate SCHEMBL28007021 0.74 AOC3 (0.39) BAZ2AAOC3HPGDSPLATGSK3B
SCHEMBL28020001 0.73 AOC3 (0.39) BAZ2AAOC3HPGDSGSK3BDYRK1A
SCHEMBL28061852 0.73 AOC3 (0.39) BAZ2AAOC3HPGDSGSK3BDYRK1A
SCHEMBL27907736 0.73 AOC3 (0.39) BAZ2AAOC3HPGDSGSK3BDYRK1A
SCHEMBL18652835 0.70 HPGDS (0.44) BAZ2AAOC3HPGDSPLATGSK3B
SCHEMBL13997973 0.68 BAZ2A (0.52) BAZ2AAOC3HPGDSPLATGSK3B
SCHEMBL14379269 0.68 PLAT (0.45) BAZ2AAOC3HPGDSPLATGSK3B

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-102216296-B Heterocyclyl-substituted thiazoles as plant protection agents BAYER CROPSCIENCE AG 2015-03-18 CN disclosed