SCHEMBL11658342

SCHEMBL11658342

Cc1n[nH]c(C)c1N(S)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.37
DYRK1A Q13627 1/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2C19 P33261 1/20 0.33
CSNK2A2 P19784 1/20 0.33
KDR P35968 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
TTR P02766 2/20 0.32
HCAR2 Q8TDS4 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL11058171 0.71
SCHEMBL11061815 0.69
SCHEMBL28120094 0.67 PDE4D (0.30) PDE4D
SCHEMBL15777023 0.66 PDE4D (0.57) PDE4DDYRK1ALMNAL3MBTL1CYP2C19
SCHEMBL11655985 0.66 KDM4E (0.42) DYRK1ALMNAL3MBTL1KDR
SCHEMBL15174259 0.64 KDM4E (0.39) LMNAMEN1KMT2A
SCHEMBL11174076 0.63 MYC (0.36) MEN1KMT2A
SCHEMBL11654684 0.62 LMNA (0.37) LMNA
SCHEMBL10957826 0.62 POLB (0.36) DYRK1A
SCHEMBL4414120 0.62 PDE4D (0.39) PDE4DDYRK1ALMNAL3MBTL1CYP2C19

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
US-4108982-A DIURETICS, HYPOTENSIVE AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1978-08-22 US disclosed