SCHEMBL8569757

SCHEMBL8569757

O=C(O)CNC(=O)c1ccccc1SS

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.50
▸ KMT2A Q03164 4/20 0.49
▸ GAA P10253 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ EGLN1 Q9GZT9 3/20 0.45
▸ HPGD P15428 5/20 0.44
▸ HSD17B10 Q99714 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ FTO Q9C0B1 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ KDM2A Q9Y2K7 1/20 0.42
▸ MME P08473 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ ACE P12821 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ECE1 P42892 1/20 0.42
▸ BLM P54132 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
SCHEMBL7016729 0.86 POLB (0.55) KEAP1KMT2AGAAL3MBTL1EGLN1
SCHEMBL8569753 0.83 KEAP1 (0.50) KEAP1KMT2AGAAL3MBTL1EGLN1
SCHEMBL31448014 0.82 KEAP1 (0.62) KEAP1KMT2AGAAEGLN1FTO
SCHEMBL13196121 0.79 GAA (0.62) KMT2AGAAL3MBTL1HPGDHSD17B10
SCHEMBL27450922 0.77 KEAP1 (0.66) KEAP1KMT2AGAAEGLN1LMNA
SCHEMBL30289977 0.77 KMT2A (0.65) KEAP1KMT2AEGLN1HPGDHSD17B10
Salicyluric Acid SCHEMBL29935452 0.75 HPGD (0.58) KEAP1KMT2AGAAEGLN1HPGD
Salicyluric Acid SCHEMBL570541 0.75 HPGD (0.58) KEAP1KMT2AGAAEGLN1HPGD
SCHEMBL7016717 0.74 KMT2A (0.44) KEAP1KMT2AGAAL3MBTL1EGLN1
SCHEMBL8761962 0.74 POLB (0.68) GAAL3MBTL1HPGDALDH1A1MAPT

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
EP-0828488-A1 ISOTHIAZOLONES WARNER-LAMBERT COMPANY (US) 1998-03-18 — — EP disclosed
WO-1996038144-A1 ISOTHIAZOLONES WARNER-LAMBERT COMPANY (US) 1996-12-05 — — WO disclosed
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