SCHEMBL5652598

SCHEMBL5652598

CCCc1ccsc1S(N)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.44
SMN1; SMN2 Q16637 1/20 0.38
EDNRB P24530 7/20 0.34
EDNRA P25101 7/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
CA12 O43570 4/20 0.33
CA1 P00915 4/20 0.33
CA7 P43166 4/20 0.33
CA9 Q16790 3/20 0.33
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
TSHR P16473 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
PRKCI P41743 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
SCHEMBL1164460 0.89 CA2 (0.47) CA2SMN1; SMN2EDNRBEDNRACA12
SCHEMBL4765907 0.87 CA2 (0.49) CA2SMN1; SMN2CA12CA1CA7
SCHEMBL5655444 0.86 CA2 (0.42) CA2SMN1; SMN2PTGES2CA12CA1
SCHEMBL9663047 0.80 CA2 (0.38) CA2EDNRBEDNRAPTGES2CA12
SCHEMBL7652735 0.79 ELANE (0.37) CA2SMN1; SMN2EDNRBEDNRACA12
SCHEMBL7217744 0.77 CA2 (0.46) CA2EDNRBEDNRACA12CA1
SCHEMBL10464956 0.76 CA2 (0.31) CA2PTGES2CA1
SCHEMBL4358027 0.76 CA2 (0.41) CA2CA12CA1CA7CA9
SCHEMBL5200235 0.76 GAA (0.39) CA2SMN1; SMN2EDNRBEDNRACA12
SCHEMBL5512456 0.76 CA2 (0.39) CA2EDNRBEDNRAPTGES2CA12

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-7084170-B2 Thiophene-amd thiazolesulfonamides as antineoplastic agents ELI LILLY AND COMPANY (US) 2006-08-01 US disclosed