SCHEMBL29773602

SCHEMBL29773602

CN(C)c1ccc2ccccc2c1S(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.47
▸ CA1 P00915 3/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ PKM P14618 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ CHEK1 O14757 1/20 0.42
▸ NEK2 P51955 1/20 0.42
▸ LIMK1 P53667 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ EP300 Q09472 1/20 0.41
▸ KAT2B Q92831 1/20 0.41
▸ KAT8 Q9H7Z6 1/20 0.41
▸ NCEH1 Q6PIU2 1/20 0.40
▸ CA12 O43570 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 2/20 0.37

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
SCHEMBL726452 1.00 CA2 (0.47) CA2CA1CA9PKMRAB9A
SCHEMBL2964374 0.84 CHEK1 (0.39) CA2CA1CA9CHEK1NEK2
SCHEMBL2679932 0.83 CYP2D6 (0.43) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL1660887 0.83 PAX8 (0.41) CA2CA1CA9CHEK1NEK2
SCHEMBL29827543 0.83 PAX8 (0.41) CA2CA1CA9CHEK1NEK2
SCHEMBL5608087 0.83 SIGMAR1 (0.40) CA2CA1CA9RAB9ACHEK1
SCHEMBL30502409 0.83 CYP2D6 (0.43) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL7595952 0.82 CHEK1 (0.39) CA2CA1CA9CHEK1NEK2
Hydrochloric Acid SCHEMBL28101819 0.81 EP300 (0.43) CA2CHEK1NEK2LIMK1DYRK1A
SCHEMBL7298973 0.79 G6PD (0.37) CA2CHEK1NEK2LIMK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558479-A1 NOVEL NAPHTHYL AND ISOQUINOLINE SULFONAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-05-28 — — EP disclosed
WO-2024017858-A1 NOVEL NAPHTHYL AND ISOQUINOLINE SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-01-25 — — WO disclosed
CN-108760950-B Method for determining nitrofuran metabolite 国检测试控股集团京诚检测有限公司 2022-07-15 — — CN disclosed
CN-108760950-B Method for determining nitrofuran metabolite 国检测试控股集团京诚检测有限公司 2022-07-15 — — CN disclosed
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