SCHEMBL7210783

SCHEMBL7210783

CCCCc1csc(S(N)(=O)=O)c1C(C)CC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CA1 P00915 4/20 0.33
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
CA7 P43166 2/20 0.32
CA14 Q9ULX7 1/20 0.32
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL1169040 0.82 NPSR1 (0.30)
SCHEMBL1168866 0.77 CA2 (0.37) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL7212007 0.76 CA2 (0.42) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL27330651 0.75 CA2 (0.41) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL5505268 0.72 CA2 (0.40) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL1169586 0.72 CA2 (0.39) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL1168820 0.71 CA2 (0.39) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL1168943 0.71 CA2 (0.39) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL1169102 0.71 CA2 (0.39) CA2SMN1; SMN2CA1CA12CA9
SCHEMBL1168859 0.70 CA2 (0.39) CA2SMN1; SMN2CA1CA12CA9

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-6610734-B2 For therapy of Alzheimer's Disease and Down's syndrome WYETH 2003-08-26 US disclosed