SCHEMBL28832445

SCHEMBL28832445

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.44
▸ KCNH2 Q12809 3/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ MINK1 Q8N4C8 1/20 0.43
▸ PI4KB Q9UBF8 1/20 0.43
▸ P2RX7 Q99572 4/20 0.39
▸ CYP2C9 P11712 2/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.38
▸ SLC22A8 Q8TCC7 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.38
▸ SLC22A11 Q9NSA0 1/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ GPR139 Q6DWJ6 1/20 0.37
▸ NR1I2 O75469 1/20 0.36
▸ LGMN Q99538 1/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ SLC40A1 Q9NP59 1/20 0.36

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
SCHEMBL688518 0.89 TRPV4 (0.41) TRPV4KCNH2MAP4K4PIK3CAMINK1
SCHEMBL10123500 0.89 TRPV4 (0.41) TRPV4KCNH2MAP4K4PIK3CAMINK1
SCHEMBL12464357 0.86 KCNH2 (0.41) TRPV4KCNH2MAP4K4PIK3CAMINK1
SCHEMBL13335207 0.86 KCNH2 (0.39) TRPV4KCNH2MAP4K4PIK3CAMINK1
SCHEMBL12349893 0.86 KCNH2 (0.39) TRPV4KCNH2MAP4K4PIK3CAMINK1
SCHEMBL17938305 0.85 KCNH2 (0.38) TRPV4KCNH2MAP4K4PIK3CAMINK1
SCHEMBL27969035 0.84 TRPV4 (0.40) TRPV4KCNH2MAP4K4PIK3CAMINK1
SCHEMBL12425101 0.84 KCNH2 (0.37) TRPV4KCNH2MAP4K4PIK3CAMINK1
SCHEMBL17938310 0.82 KCNH2 (0.39) TRPV4KCNH2MAP4K4PIK3CAMINK1
SCHEMBL16622003 0.82 KCNH2 (0.36) TRPV4KCNH2MAP4K4PIK3CAMINK1

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-105705022-A Agricultural chemicals 瑞戴格作物保护公司 2016-06-22 — — CN disclosed
Send feedback