SCHEMBL28280554

SCHEMBL28280554

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

nearest known ligand 0.43

Predicted protein targets (top 17)

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
RECQL P46063 1/20 0.36
HSD11B1 P28845 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RIPK1 Q13546 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
KMT2A Q03164 1/20 0.32
ESR1 P03372 1/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 2/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL30197291 0.82 CA1 (0.43) CA1CA2CA5ACA9PLCG1
SCHEMBL12317693 0.75 CA2 (0.37) CA1CA2CA5ACA9PLCG1
SCHEMBL28533116 0.75 TAAR1 (0.50) HSD11B1KMT2AESR1ALDH1A1TSHR
SCHEMBL10608749 0.72 RIPK1 (0.39) CA1CA2CA5ACA9PLCG1
SCHEMBL28811861 0.71 CA1 (0.37) CA1CA2CA5ACA9PLCG1
SCHEMBL28812269 0.71 CA1 (0.41) CA1CA2CA5ACA9PLCG1
SCHEMBL5846484 0.71 TAAR1 (0.50) CA1CA2CA5ACA9PLCG1
SCHEMBL13769782 0.70 PPARA (0.39) CA1CA2CA5ACA9RIPK1
SCHEMBL3533731 0.70 CYP2C19 (0.38) CA1CA2CA5ACA9L3MBTL1
SCHEMBL10569224 0.69 ALOX15 (0.44) KMT2AALDH1A1POLB

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-A Benzosultams and analogs and their use as fungicides 拜耳作物科学股份公司 2019-03-15 CN disclosed