SCHEMBL29628688

SCHEMBL29628688

CC(C)(O)c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.57
CA1 P00915 10/20 0.57
CA12 O43570 9/20 0.50
CA9 Q16790 8/20 0.50
CA14 Q9ULX7 3/20 0.50
CA4 P22748 2/20 0.50
NOS1 P29475 1/20 0.49
NR1H3 Q13133 1/20 0.46
CA5A P35218 2/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
PLA2G7 Q13093 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
NLRP3 Q96P20 1/20 0.43
MAPT P10636 1/20 0.42
GLO1 Q04760 1/20 0.42

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
SCHEMBL6871649 1.00 CA2 (0.57) CA2CA1CA12CA9CA14
SCHEMBL22014885 0.86 NLRP3 (0.41) CA2CA1CA12CA9NOS1
SCHEMBL30244073 0.86 NLRP3 (0.41) CA2CA1CA12CA9NOS1
SCHEMBL7130700 0.85 LMNA (0.50) CA2CA1NLRP3MAPT
SCHEMBL12025007 0.85 CA2 (0.61) CA2CA1CA12CA9CA14
SCHEMBL12157465 0.83 KIF11 (0.48) CA2CA1NR1H3NLRP3
SCHEMBL12841398 0.83 CA2 (0.59) CA2CA1CA12CA9CA14
SCHEMBL19943829 0.81 NLRP3 (0.43) CA2CA1NR1H3NLRP3MAPT
SCHEMBL28009704 0.81 CA2 (0.52) CA2CA1CA12CA9CA14
SCHEMBL19475024 0.80 APEX1 (0.45) CA2CA1CA12CA9CA14

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-109563057-B Sulfonamide compound or salt thereof 大鹏药品工业株式会社 2022-06-24 CN disclosed