SCHEMBL12464108

SCHEMBL12464108

CN=S(C)(=O)CCc1ccc(C(F)(F)F)nc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.44
KCNH2 Q12809 4/20 0.38
MAP4K4 O95819 1/20 0.38
PIK3CA P42336 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
TKT P29401 1/20 0.38
HTR2A P28223 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
NR1H2 P55055 7/20 0.36
NR1H3 Q13133 7/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL12464348 0.85 DAO (0.40) DAOKCNH2MAP4K4PIK3CAMINK1
SCHEMBL2152745 0.84 DAO (0.41) DAOKCNH2MAP4K4PIK3CAMINK1
SCHEMBL1030037 0.82 DAO (0.46) DAOKCNH2MAP4K4PIK3CAMINK1
SCHEMBL3642938 0.82 DAO (0.39) DAOKCNH2MAP4K4PIK3CAMINK1
SCHEMBL21300042 0.75 KCNH2 (0.33) DAOKCNH2MAP4K4PIK3CAMINK1
SCHEMBL15541648 0.75 DAO (0.40) DAOKCNH2MAP4K4PIK3CAMINK1
SCHEMBL25214525 0.73 DAO (0.43) DAOKCNH2MAP4K4PIK3CAMINK1
SCHEMBL30469149 0.73 DAO (0.43) DAOKCNH2MAP4K4PIK3CAMINK1
SCHEMBL3851699 0.73 DAO (0.50) DAOKCNH2TKTTRPV4
SCHEMBL12797513 0.73 DAO (0.42) 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
EP-1989184-B1 INSECTICIDAL N-SUBSTITUTED (6-HALOALKYLPYRIDIN-3-YL)ALKYL SULFOXIMINES DOW AGROSCIENCES LLC (US) 2011-07-06 EP disclosed