SCHEMBL28471333

SCHEMBL28471333

N#Cc1cccc(CC(O)=S)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ERCC1 P07992 1/20 0.47
▸ ERCC4 Q92889 1/20 0.47
▸ GLA P06280 1/20 0.45
▸ FFAR1 O14842 2/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.44
▸ FOLH1 Q04609 1/20 0.44
▸ MEP1A Q16819 1/20 0.44
▸ MEP1B Q16820 1/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ CYP19A1 P11511 1/20 0.43
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ ENPP2 Q13822 1/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ MAOA P21397 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
SCHEMBL335418 0.81 LMNA (0.56) LMNAERCC1ERCC4GLAFFAR1
SCHEMBL6714330 0.80 ERCC1 (0.52) LMNAERCC1ERCC4GLAFFAR1
SCHEMBL6617065 0.79 GLA (0.54) LMNAERCC1ERCC4GLAFFAR1
SCHEMBL15961772 0.79 ERCC1 (0.55) LMNAERCC1ERCC4GLAFFAR1
SCHEMBL320197 0.77 HRH3 (0.49) LMNAERCC1ERCC4GLAFFAR1
SCHEMBL13756109 0.76 GLA (0.47) LMNAERCC1ERCC4GLAFFAR1
SCHEMBL30489963 0.76 MAPK8 (0.56) LMNAERCC1ERCC4GLAFFAR1
SCHEMBL200244 0.76 ERCC1 (0.52) LMNAERCC1ERCC4GLAFFAR1
SCHEMBL30860058 0.76 ERCC1 (0.52) LMNAERCC1ERCC4GLAFFAR1
SCHEMBL6714339 0.76 MAPK8 (0.56) LMNAERCC1ERCC4GLAFFAR1

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-111848467-B Preparation method of asymmetric organic persulfate compound 浙江大学 2021-07-20 — — CN disclosed
CN-111848467-A Preparation method of asymmetric organic persulfate compound 浙江大学 2020-10-30 — — CN disclosed
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