SCHEMBL25318427

SCHEMBL25318427

Cc1ccc(S(=O)(=O)OCc2cccc(COS(=O)(=O)c3ccc(C)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
C5AR1 P21730 1/20 0.41
VDR P11473 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
HTR6 P50406 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
STAT3 P40763 1/20 0.40
CD4 P01730 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
G6PD P11413 2/20 0.39

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
SCHEMBL16050463 0.93 KEAP1 (0.40) KEAP1NFE2L2ALDH1A1KDM4EHPGD
SCHEMBL3645222 0.90 KEAP1 (0.40) KEAP1NFE2L2ALDH1A1KDM4EHPGD
SCHEMBL16050543 0.88 PSMD10 (0.39) KEAP1NFE2L2ALDH1A1KDM4EHPGD
SCHEMBL16050461 0.87 KEAP1 (0.38) KEAP1NFE2L2ALDH1A1KDM4EHPGD
SCHEMBL17258376 0.87 ALDH1A1 (0.36) KEAP1NFE2L2ALDH1A1KDM4EHPGD
SCHEMBL3777059 0.83 SYK (0.50) ALDH1A1KDM4EKMT2APTGS2
SCHEMBL18977857 0.83 KMT2A (0.40) KEAP1NFE2L2ALDH1A1VDRMEN1
SCHEMBL29995677 0.83 SYK (0.50) ALDH1A1KDM4EKMT2APTGS2
SCHEMBL30041498 0.82 KDM4E (0.50) KEAP1NFE2L2ALDH1A1KDM4EGAA
SCHEMBL6572241 0.82 KDM4E (0.50) KEAP1NFE2L2ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250101475-A1 MONOOXYGENASE MUTANTS FOR BIOSYNTHESIS OF 2,6-BIS(HYDROXYMETHYL)PYRIDINE AND A METHOD FOR PREPARATION OF 2,6-BIS(HYDROXYMETHYL)PYRIDINE USING THE SAID MONOOXYGENASE MUTANTS VIO CHEMICALS AG (CH) 2025-03-27 US claimed
WO-2023126510-A1 MONOOXYGENASE MUTANTS FOR BIOSYNTHESIS OF 2,6-BIS(HYDROXYMETHYL)PYRIDINE AND A METHOD FOR PREPARATION OF 2,6-BIS(HYDROXYMETHYL)PYRIDINE USING THE SAID MONOOXYGENASE MUTANTS VIO CHEMICALS AG (CH) 2023-07-06 WO claimed
US-20250101475-A1 MONOOXYGENASE MUTANTS FOR BIOSYNTHESIS OF 2,6-BIS(HYDROXYMETHYL)PYRIDINE AND A METHOD FOR PREPARATION OF 2,6-BIS(HYDROXYMETHYL)PYRIDINE USING THE SAID MONOOXYGENASE MUTANTS VIO CHEMICALS AG (CH) 2025-03-27 US disclosed
WO-2023126510-A1 MONOOXYGENASE MUTANTS FOR BIOSYNTHESIS OF 2,6-BIS(HYDROXYMETHYL)PYRIDINE AND A METHOD FOR PREPARATION OF 2,6-BIS(HYDROXYMETHYL)PYRIDINE USING THE SAID MONOOXYGENASE MUTANTS VIO CHEMICALS AG (CH) 2023-07-06 WO disclosed
CN-111056925-B Chiral diol compound, chiral crown ether compound and preparation method thereof 上海交通大学 2023-03-21 CN disclosed