SCHEMBL16622004

SCHEMBL16622004

C#CN=S(C)(=O)Cc1ccc(C(F)(F)F)nc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.37
KCNH2 Q12809 3/20 0.36
MAP4K4 O95819 1/20 0.36
PIK3CA P42336 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
KDR P35968 1/20 0.35
CYP2C9 P11712 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
SLC22A11 Q9NSA0 1/20 0.35
NR1H2 P55055 7/20 0.35
NR1H3 Q13133 7/20 0.35
NAMPT P43490 1/20 0.34
TKT P29401 1/20 0.34

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
SCHEMBL119494 0.86 CDK2 (0.39) DAOKCNH2MAP4K4PIK3CAMINK1
SCHEMBL12464348 0.83 DAO (0.40) DAOKCNH2MAP4K4PIK3CAMINK1
SCHEMBL9610902 0.77 CDK2 (0.37) CDK2
SCHEMBL13373481 0.77 DAO (0.45) DAOKCNH2MAP4K4PIK3CAMINK1
SCHEMBL12797513 0.77 DAO (0.42) DAOKCNH2MAP4K4PIK3CAMINK1
SCHEMBL2153112 0.77 CDK2 (0.36) CDK2
SCHEMBL1480608 0.76 KCNH2 (0.40) DAOKCNH2MAP4K4PIK3CAMINK1
SCHEMBL4939057 0.75 KCNH2 (0.39) DAOKCNH2MAP4K4PIK3CAMINK1
SCHEMBL1480522 0.75 KCNH2 (0.39) DAOKCNH2MAP4K4PIK3CAMINK1
SCHEMBL14740029 0.75 CDK2 (0.37) DAOKCNH2MAP4K4PIK3CAMINK1

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-9000180-B2 Processes for the production of N-substituted sulfoximine pyridine N-oxides DOW AGROSCIENCES LLC (US) 2015-04-07 US disclosed