SCHEMBL5797600

SCHEMBL5797600

CCc1scc(C(=O)N(C)C)c1S(N)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.33
TSHR P16473 1/20 0.31
LOXL2 Q9Y4K0 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
SCHEMBL3217589 0.80 CA2 (0.44) CA2TSHR
SCHEMBL4894480 0.80 CA2 (0.33) CA2
SCHEMBL3205561 0.79 CA1 (0.44) CA2TSHR
SCHEMBL3216867 0.77 CA2 (0.39) CA2
SCHEMBL3209688 0.77 ALDH1A1 (0.45) CA2TSHR
SCHEMBL3210940 0.69 CA2 (0.42) CA2TSHR
SCHEMBL3205576 0.68 CA1 (0.42) CA2TSHR
SCHEMBL3222470 0.67 ALDH1A1 (0.44) CA2TSHR
SCHEMBL3224221 0.66 CA2 (0.38) CA2
SCHEMBL10493783 0.66 ALDH1A1 (0.38) CA2TSHR

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
WO-2006012981-A1 AMINOCARBONYL-SUBSTITUTED THIENYLSULPHONYLUREAS BAYER CROPSCIENCE AG (DE) 2006-02-09 WO disclosed