SCHEMBL30513622

SCHEMBL30513622

CCCc1cc(S(N)(=O)=O)ccc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.52
CA9 Q16790 12/20 0.52
CA1 P00915 9/20 0.52
CA12 O43570 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
LRRK2 Q5S007 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
SCHEMBL14842018 0.85 CA2 (0.40) CA2CA9CA1PTGS2
Water SCHEMBL14842096 0.84 CA2 (0.40) CA2CA9CA1PTGS2
SCHEMBL6271014 0.83 CA2 (0.52) CA2CA9CA1CA12TDP1
SCHEMBL29039646 0.80 CA2 (0.47) CA2CA9CA1CA12PTGS1
SCHEMBL28720353 0.79 CA2 (0.47) CA2CA9CA1CA12TDP1
SCHEMBL21102104 0.77 CA2 (0.56) CA2CA9CA1CA12
SCHEMBL29039651 0.77 CA2 (0.59) CA2CA9CA1CA12
SCHEMBL4733933 0.77 CA2 (0.61) CA2CA9CA1CA12TDP1
SCHEMBL8215102 0.76 CA2 (0.55) CA2CA9CA1CA12PTGS1
SCHEMBL3906957 0.76 CA2 (0.64) CA2CA9CA1CA12TDP1

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-113527152-B Biphenyl sulfonamide compound and method for controlling crop pests by using same 西北农林科技大学 2023-07-28 CN claimed