SCHEMBL10163637

SCHEMBL10163637

C=S(=O)(CCC)NC(=O)Cc1cc(Oc2ccc([S+]([O-])c3ccccc3)cc2C#N)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.37
PLA2G7 Q13093 8/20 0.36
SCN9A Q15858 6/20 0.35
AR P10275 1/20 0.34
TACR1 P25103 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL585786 0.79 SLC22A12 (0.41) SLC22A12PLA2G7SCN9AKCNQ3KCNQ2
SCHEMBL586070 0.77 SLC22A12 (0.42) SLC22A12PLA2G7SCN9AKCNQ3KCNQ2
SCHEMBL585385 0.76 SLC22A12 (0.44) SLC22A12PLA2G7SCN9AKCNQ3KCNQ2
SCHEMBL585580 0.74 SLC22A12 (0.42) SLC22A12PLA2G7SCN9AKCNQ3KCNQ2
SCHEMBL585430 0.74 SLC22A12 (0.41) SLC22A12PLA2G7SCN9ATACR1KCNQ3
SCHEMBL883842 0.71 SLC22A12 (0.46) SLC22A12PLA2G7SCN9APTGDR2
SCHEMBL585875 0.71 SLC22A12 (0.45) SLC22A12PLA2G7SCN9APTGDR2
SCHEMBL585259 0.69 KCNQ3 (0.41) TACR1KCNQ3KCNQ2PTGDR2
SCHEMBL585990 0.66 PTGDR2 (0.44) KCNQ3KCNQ2PTGDR2
SCHEMBL585444 0.66 RORC (0.44) PTGDR2

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-1963259-B1 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-02-15 EP disclosed