SCHEMBL27699059

SCHEMBL27699059

Nc1cc(I)c(S(N)(=O)=O)cc1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.46
CA2 P00918 9/20 0.46
CA9 Q16790 8/20 0.46
CA4 P22748 5/20 0.46
CA12 O43570 4/20 0.46
CA6 P23280 4/20 0.46
CA5A P35218 4/20 0.46
CA7 P43166 4/20 0.46
CA14 Q9ULX7 4/20 0.46
CA5B Q9Y2D0 4/20 0.46
CA3 P07451 2/20 0.46
ALDH1A1 P00352 3/20 0.43
CYP2C9 P11712 1/20 0.36
APEX1 P27695 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PKM P14618 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 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
SCHEMBL27699058 0.92 CA1 (0.50) CA1CA2CA9CA4CA12
SCHEMBL2940168 0.88 CA2 (0.57) CA1CA2CA9CA4CA12
SCHEMBL11277433 0.84 CA2 (0.57) CA1CA2CA9CA4CA12
SCHEMBL3777946 0.79 CA1 (0.50) CA1CA2CA9CA4CA12
SCHEMBL427123 0.79 TTR (0.45) CA1CA2CA9CA4CA12
SCHEMBL9646671 0.78 CA1 (0.47) CA1CA2CA9CA4CA12
SCHEMBL9647910 0.77 CA1 (0.78) CA1CA2CA9CA4CA12
SCHEMBL8829810 0.77 TTR (0.43) CA1CA2CA9CA4CA12
Ammonia Solution, Strong SCHEMBL7550098 0.77 TTR (0.43) CA1CA2CA9CA4CA12
Ammonia Solution, Strong SCHEMBL7550094 0.77 TTR (0.43) CA1CA2CA9CA4CA12

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-101166724-A Sulfonylamino (thio) carbonyl compounds in the form of herbicides or plant growth regulators BAYER CROPSCIENCE AG (DE) 2008-04-23 CN disclosed