SCHEMBL12425101

SCHEMBL12425101

CC(c1ccc(C(F)(F)F)nc1)S(C)(=O)=NN=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MINK1 Q8N4C8 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.37
▸ P2RX7 Q99572 3/20 0.35
▸ GPR139 Q6DWJ6 1/20 0.35
▸ CYP2C9 P11712 2/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ SLC22A8 Q8TCC7 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ SLC22A11 Q9NSA0 1/20 0.33
▸ PTGS2 P35354 4/20 0.33
▸ PTGS1 P23219 2/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33

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
SCHEMBL12349893 0.86 KCNH2 (0.39) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL13335207 0.86 KCNH2 (0.39) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL12464357 0.86 KCNH2 (0.41) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL17938305 0.84 KCNH2 (0.38) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL28832445 0.84 TRPV4 (0.44) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL17938310 0.82 KCNH2 (0.39) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL16622003 0.82 KCNH2 (0.36) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL20117900 0.82 P2RX7 (0.35) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL20130672 0.82 P2RX7 (0.35) KCNH2MAP4K4PIK3CAMINK1PI4KB
Sulfoxaflor SCHEMBL18103858 0.81 LGMN (0.37) KCNH2MAP4K4PIK3CAMINK1PI4KB

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-2351740-A1 Insecticidal composition comprising N-substituted (6-haloalkylpyridin-3-YL)alkyl sulfoximines Dow AgroSciences LLC (US) 2011-08-03 — — EP disclosed
Send feedback