SCHEMBL29892935

SCHEMBL29892935

COc1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 14/20 0.81
▸ NFE2L2 Q16236 7/20 0.81
▸ SQSTM1 Q13501 2/20 0.81
▸ CKS1B P61024 3/20 0.74
▸ SKP2 Q13309 3/20 0.74
▸ MITF O75030 1/20 0.70
▸ ALDH1A1 P00352 1/20 0.70
▸ LMNA P02545 1/20 0.70
▸ TP53 P04637 1/20 0.70
▸ GAA P10253 1/20 0.70
▸ MAPT P10636 1/20 0.70
▸ THRB P10828 1/20 0.70
▸ HPGD P15428 1/20 0.70
▸ ALOX15 P16050 1/20 0.70
▸ CASP1 P29466 1/20 0.70
▸ GFER P55789 1/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.70
▸ HKDC1 Q2TB90 1/20 0.70
▸ HSD17B10 Q99714 1/20 0.70
▸ L3MBTL1 Q9Y468 1/20 0.70

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
SCHEMBL29892350 0.96 KEAP1 (0.83) KEAP1NFE2L2SQSTM1CKS1BSKP2
SCHEMBL26089402 0.90 KEAP1 (1.00) KEAP1NFE2L2SQSTM1MITFALDH1A1
SCHEMBL28841713 0.90 STAT3 (0.76) KEAP1NFE2L2SQSTM1CKS1BSKP2
SCHEMBL28347360 0.87 STAT3 (0.77) KEAP1NFE2L2SQSTM1CKS1BSKP2
SCHEMBL29540501 0.86 KEAP1 (0.67) KEAP1NFE2L2SQSTM1CKS1BSKP2
SCHEMBL17506528 0.86 CKS1B (1.00) KEAP1NFE2L2SQSTM1CKS1BSKP2
SCHEMBL2518687 0.85 STAT3 (0.80) KEAP1NFE2L2SQSTM1CKS1BSKP2
SCHEMBL29892528 0.84 KEAP1 (0.77) KEAP1NFE2L2SQSTM1CKS1BSKP2
SCHEMBL29028543 0.83 KEAP1 (0.86) KEAP1NFE2L2SQSTM1MITFALDH1A1
SCHEMBL23443367 0.82 KEAP1 (1.00) KEAP1NFE2L2SQSTM1MITFALDH1A1

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-110698367-B N- (1-substituted naphthyl) -4-methoxybenzenesulphonamide compound and preparation and application thereof 温州医科大学 2022-08-19 — — CN disclosed
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