SCHEMBL30197291

SCHEMBL30197291

CC(C)(CS(=O)(=O)Cl)c1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
PLCG1 P19174 1/20 0.40
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.33
RIPK1 Q13546 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.31
HSD11B1 P28845 1/20 0.31
LOX P28300 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL28280554 0.82 CA1 (0.43) CA1CA2CA5ACA9PLCG1
SCHEMBL8129894 0.75 TAAR1 (0.50) CA1CA2CA5ACA9KMT2A
SCHEMBL10608749 0.72 RIPK1 (0.39) CA1CA2CA5ACA9PLCG1
SCHEMBL9248186 0.72 CA1 (0.35) CA1CA2CA5ACA9PLCG1
SCHEMBL28811861 0.71 CA1 (0.37) CA1CA2CA5ACA9PLCG1
SCHEMBL28812269 0.71 CA1 (0.41) CA1CA2CA5ACA9PLCG1
SCHEMBL5846484 0.71 TAAR1 (0.50) CA1CA2CA5ACA9PLCG1
SCHEMBL12317693 0.71 CA2 (0.37) CA1CA2CA5ACA9PLCG1
SCHEMBL19222142 0.69 CA1 (0.36) CA1CA2CA5ACA9PLCG1
SCHEMBL27651159 0.69 CA1 (0.58) CA1CA2CA5ACA9PLCG1

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-109476606-B Benzosultams and analogs and their use as fungicides 拜耳作物科学股份公司 2023-01-20 CN disclosed