SCHEMBL27579266

SCHEMBL27579266

O=[N+]([O-])c1c(Cl)cccc1S(=O)(=O)Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ PGR P06401 3/20 0.50
▸ SLC25A1 P53007 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ AR P10275 1/20 0.44
▸ PKM P14618 2/20 0.44
▸ GAA P10253 1/20 0.43
▸ CASP6 P55212 2/20 0.43
▸ DUSP3 P51452 1/20 0.43
▸ PTPN5 P54829 1/20 0.43
▸ PTPN11 Q06124 1/20 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
SCHEMBL3769126 0.79 PGR (0.73) PGRALDH1A1MEN1KMT2AMAPT
SCHEMBL10455160 0.78 PGR (0.75) PGRALDH1A1IL1RNKEAP1ERAP1
SCHEMBL10452714 0.77 KMT2A (0.50) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL7443125 0.77 SLC25A1 (0.68) CA12CA2CA9PGRSLC25A1
SCHEMBL410747 0.76 AR (0.67) CA12CA2CA9L3MBTL1MEN1
SCHEMBL31235173 0.76 AR (0.67) CA12CA2CA9L3MBTL1MEN1
SCHEMBL9763798 0.76 HSP90AA1 (0.42) CA2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7535547 0.76 ALDH1A1 (0.48) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL10715096 0.75 PGR (0.53) CA12CA2CA9PGRSLC25A1
SCHEMBL10422318 0.75 SLC25A1 (0.66) CA12CA2CA9PGRSLC25A1

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-1349381-A Sulfonamide derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-05-15 — — CN disclosed
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