SCHEMBL11821585

SCHEMBL11821585

CNC(=O)Nc1nnc(S(=O)(=O)NC(C)(C)C)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 13/20 0.54
▸ CA2 P00918 13/20 0.54
▸ CA4 P22748 6/20 0.54
▸ CA9 Q16790 6/20 0.54
▸ CA12 O43570 2/20 0.54
▸ CA3 P07451 2/20 0.54
▸ CA6 P23280 2/20 0.54
▸ CA5A P35218 2/20 0.54
▸ CA7 P43166 2/20 0.54
▸ CA13 Q8N1Q1 2/20 0.54
▸ CA14 Q9ULX7 2/20 0.54
▸ CA5B Q9Y2D0 2/20 0.54
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CA11 O75493 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43

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
SCHEMBL3501152 0.85 CA1 (0.69) CA1CA2CA4CA9CA12
SCHEMBL13411701 0.79 ALDH1A1 (0.49) CA1CA2CA4CA9CA12
SCHEMBL11561420 0.78 CA2 (0.51) CA1CA2CA4CA9CA12
SCHEMBL11560868 0.78 CA1 (0.49) CA1CA2CA4CA9CA12
SCHEMBL11815501 0.76 CA1 (0.50) CA1CA2CA4CA9CA12
SCHEMBL11562150 0.76 CA1 (0.53) CA1CA2CA4CA9CA12
SCHEMBL11563706 0.75 CA1 (0.47) CA1CA2CA4CA9CA12
SCHEMBL11666192 0.73 CA1 (0.47) CA1CA2CA4CA9CA12
SCHEMBL11559048 0.71 MAPT (0.52) CA1CA2CA4CA9CA12
SCHEMBL11188939 0.71 SMN1; SMN2 (0.63) CA1CA2CA4CA5ACA5B

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-3972706-A SUBSTITUTED THIADIAZOL-2-YL-UREAS ELI LILLY AND COMPANY (US) 1976-08-03 — — US disclosed
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