SCHEMBL29954673

SCHEMBL29954673

[C-]#[N+]C(c1cc(F)cc(F)c1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
PTGS2 P35354 2/20 0.37
AGER Q15109 1/20 0.37
PTGS1 P23219 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
TLR9 Q9NR96 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PSEN1 P49768 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
SCHEMBL4833791 0.88 CES2 (0.37) CA1CA2CA12CA9BCHE
SCHEMBL30716693 0.88 CES2 (0.37) CA1CA2CA12CA9BCHE
SCHEMBL992209 0.87 ACHE (0.42) GAABCHEACHESMN1; SMN2FFAR4
SCHEMBL29569001 0.86 PTGS2 (0.40) GAAPTGS2AGERPTGS1CA1
SCHEMBL29956006 0.84 GAA (0.45) GAAAGERCA1CA2CA12
SCHEMBL5852069 0.83 PTGS2 (0.41) GAAPTGS2AGERPTGS1CA1
SCHEMBL29955568 0.83 PTGS2 (0.41) GAAPTGS2AGERPTGS1CA1
SCHEMBL29954990 0.81 GAA (0.38) GAACA1CA2CA12CA3
SCHEMBL29955570 0.81 GAA (0.38) GAAAGERCA1CA2CA12
SCHEMBL408195 0.80 NPY2R (0.47) GAACA1CA2CA12CA3

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed