SCHEMBL10593152

SCHEMBL10593152

COC1=CC(=O)CC2=C1Nc1ccc(OC)cc1S2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 3/20 0.52
▸ MAOA P21397 2/20 0.49
▸ MAOB P27338 2/20 0.49
▸ NOX1 Q9Y5S8 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PDE3B Q13370 2/20 0.40
▸ PDE3A Q14432 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ LRRK2 Q5S007 2/20 0.34
▸ CA12 O43570 1/20 0.34

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
SCHEMBL9813228 0.78 SNCA (0.52) SNCAMAOAMAOBNOX1HTT
SCHEMBL10591060 0.77 SNCA (0.55) SNCAMAOAMAOBNOX1HTT
SCHEMBL10590546 0.73 SNCA (0.50) SNCAMAOAMAOBNOX1HTT
SCHEMBL10590860 0.71 EPHX2 (0.47) SNCAMAOBNOX1HTTMEN1
SCHEMBL29636455 0.71 SNCA (1.00) SNCAMAOAMAOBNOX1HTT
SCHEMBL3489840 0.71 SNCA (1.00) SNCAMAOAMAOBNOX1HTT
SCHEMBL10590497 0.68 MAPT (0.45) SNCAMAOAMAOBNOX1HTT
SCHEMBL10594666 0.68 SNCA (0.50) SNCAMAOAMAOBNOX1HTT
SCHEMBL12272871 0.67 ALDH1A1 (0.34) LMNAMEN1MAPTKMT2AL3MBTL1
SCHEMBL12273608 0.67 MAPT (0.34) NOX1MEN1MAPTMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0115394-B1 PHENOTHIAZONE DERIVATIVES AND ANALOGS MERCK FROSST CANADA INC. (CA) 1989-06-28 — — EP disclosed
EP-0155623-A2 Use of lipoxygenase inhibitors for the preparations of cytoprotective pharmaceutical compostions and process for the preparation of a cytoprotective pharmaceutical composition MERCK & CO. INC. (US) 1985-09-25 — — EP disclosed
EP-0115394-A2 Phenothiazone derivatives and analogs MERCK FROSST CANADA INC. (CA) 1984-08-08 — — EP disclosed
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