SCHEMBL28370993

SCHEMBL28370993

NS(=O)(=O)c1ccc(-c2nnc(-c3ccncc3)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 1.00
CA1 P00915 13/20 1.00
MAOA P21397 5/20 0.73
MAOB P27338 5/20 0.73
CA9 Q16790 2/20 0.63
CA12 O43570 1/20 0.63
TP53 P04637 1/20 0.62
PKM P14618 1/20 0.62

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
SCHEMBL18118199 0.83 CA2 (0.73) CA2CA1CA9CA12
SCHEMBL28366892 0.83 CA2 (1.00) CA2CA1MAOAMAOBCA9
SCHEMBL28366821 0.83 CA2 (0.73) CA2CA1MAOAMAOB
SCHEMBL28373035 0.83 CA2 (1.00) CA2CA1MAOAMAOBCA9
SCHEMBL8633116 0.79 CA2 (0.68) CA2CA1MAOAMAOB
SCHEMBL9612006 0.79 PKM (0.90) CA2CA1TP53PKM
SCHEMBL11965041 0.79 PKM (0.90) CA2CA1TP53PKM
SCHEMBL4883712 0.79 PKM (1.00) CA2CA1TP53PKM
SCHEMBL28367154 0.79 CA2 (0.78) CA2CA1MAOAMAOBCA9
SCHEMBL28884814 0.79 CA2 (1.00) CA2CA1MAOAMAOBCA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110903262-A Oxadiazole substituted benzene sulfonamide compound, preparation method thereof and application of oxadiazole substituted benzene sulfonamide compound as carbonic anhydrase inhibitor 中国人民解放军军事科学院军事医学研究院 2020-03-24 CN claimed
CN-110903262-A Oxadiazole substituted benzene sulfonamide compound, preparation method thereof and application of oxadiazole substituted benzene sulfonamide compound as carbonic anhydrase inhibitor 中国人民解放军军事科学院军事医学研究院 2020-03-24 CN disclosed