SCHEMBL11090400

SCHEMBL11090400

Nc1ccccc1S(=O)(=O)OCC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.47
▸ CA9 Q16790 4/20 0.46
▸ CA1 P00915 4/20 0.46
▸ CA2 P00918 4/20 0.46
▸ CA12 O43570 2/20 0.46
▸ CA4 P22748 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA5A P35218 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ CA5B Q9Y2D0 1/20 0.46
▸ HTR6 P50406 1/20 0.42
▸ KYNU Q16719 2/20 0.37
▸ NSD2 O96028 2/20 0.36
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ USP2 O75604 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL777419 0.87 CA2 (0.45) CA9CA1CA2CA5AKMT2A
SCHEMBL31108148 0.80 GAA (0.44) GAACA9CA1CA2CA12
SCHEMBL2354799 0.79 HSD11B1 (0.41) GAACA9CA1CA2CYP2C9
SCHEMBL8779870 0.78 GAA (0.54) GAACA9CA1CA2CA12
SCHEMBL11092915 0.76 KMT2A (0.54) CA1CA2KMT2AMEN1ALDH1A1
SCHEMBL31541813 0.76 SLC22A12 (0.37) CA9CA1CA2KMT2AMEN1
SCHEMBL2270234 0.74 CA1 (0.43) CA9CA1CA2CA12CA4
SCHEMBL28621821 0.74 GAA (0.39) GAACA9CA1CA2CA12
SCHEMBL4443127 0.74 CA2 (0.56) GAACA9CA1CA2CA12
SCHEMBL11086064 0.73 CA1 (0.33) CA9CA1CA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0023141-B1 HERBICIDAL SULFONAMIDES, PREPARATION AND USE THEREOF, COMPOSITIONS CONTAINING THEM, INTERMEDIATES THEREFOR AND PREPARATION OF SUCH INTERMEDIATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-04-11 — — EP disclosed
US-4417917-A BENZENE DISULFONIC ACID DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-11-29 — — US disclosed
EP-0070041-A2 Substituted benzenesulfonyl isocyanates and isothiocyanates and processes for their preparation E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-01-19 — — EP disclosed
US-4310346-A HERBICIDES AND PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-01-12 — — US disclosed
EP-0023141-A2 Herbicidal sulfonamides, preparation and use thereof, compositions containing them, intermediates therefor and preparation of such intermediates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-01-28 — — EP disclosed
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