SCHEMBL28862587

SCHEMBL28862587

NS(=O)(=O)c1ccc(Cc2cccs2)c(N=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 7/20 0.46
▸ CA2 P00918 7/20 0.46
▸ CA5A P35218 6/20 0.46
▸ CA7 P43166 6/20 0.46
▸ CA5B Q9Y2D0 6/20 0.46
▸ CA13 Q8N1Q1 3/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ APBA1 Q02410 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ PTGS2 P35354 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL28030573 0.77 CA2 (0.49) CA1CA2CA5ACA7CA5B
SCHEMBL28225354 0.73 L3MBTL1 (0.61) CA1CA2CA5ACA7CA5B
SCHEMBL1874184 0.69 CYP2C9 (0.42) CA1CA2CA5ACA7CA5B
SCHEMBL14028112 0.66 CA2 (0.57) CA1CA2CA5ACA7CA5B
SCHEMBL5679972 0.65 CISD1 (0.37) CA1CA2CA5ACA7CA5B
SCHEMBL10869347 0.65 CA1 (0.43) CA1CA2CA5ACA7CA5B
SCHEMBL14028113 0.65 CA2 (0.53) CA1CA2CA5ACA7CA5B
SCHEMBL3665121 0.65 CA2 (0.47) CA1CA2CA5ACA7CA5B
SCHEMBL20899645 0.64 MEN1 (0.65) CA1CA2CA5ACA7CA5B
SCHEMBL28954610 0.63 CA2 (0.37) CA1CA2CA7CA9CA12

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
CN-106008322-B sulfonamide derivatives as BC L-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE 公司 2018-09-04 — — CN disclosed
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