SCHEMBL28225976

SCHEMBL28225976

CC(C)c1ccc(CN)cc1C1=NCCS1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.33
WDR48 Q8TAF3 1/20 0.33
CSNK2A1 P68400 2/20 0.33
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL19658033 0.68 CSNK2A1 (0.43) CSNK2A1HRH3LMNA
SCHEMBL28334774 0.66 CSNK2A1 (0.33) CSNK2A1
Hydrochloric Acid SCHEMBL23833253 0.65 CSNK2A1 (0.41) CSNK2A1
Hydrochloric Acid SCHEMBL30193335 0.65 CSNK2A1 (0.41) CSNK2A1
Hydrochloric Acid SCHEMBL23833175 0.65 CSNK2A1 (0.57) CSNK2A1LMNA
SCHEMBL17880793 0.65 CSNK2A1 (0.44) CSNK2A1HRH3LMNA
SCHEMBL17540835 0.63 CSNK2A1 (0.56) CSNK2A1LMNA
SCHEMBL10257195 0.63 LOXL2 (0.41) CSNK2A1HRH3
SCHEMBL27265016 0.62 NUDT1 (0.36) CSNK2A1HRH3
SCHEMBL21376955 0.61 LOXL2 (0.42) USP1WDR48

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-108137489-A Molecule and relative intermediate, composition and method with desinsection effectiveness 美国陶氏益农公司 2018-06-08 CN disclosed