SCHEMBL129524

SCHEMBL129524

CC([S])c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SLC6A4 P31645 1/20 0.47
ADRA2A P08913 4/20 0.46
ADRA2B P18089 4/20 0.46
ADRA2C P18825 4/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1B P35368 1/20 0.46
CYP2A6 P11509 2/20 0.44
LTC4S Q16873 1/20 0.43
AOC3 Q16853 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL2998678 0.81 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL66681 0.81 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL1199042 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
Potassium SCHEMBL11437170 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL9862021 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL1199043 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL9614515 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL11437166 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL335062 0.77 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL20560402 0.77 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4

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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659746-B1 Process for the preparation of sulfonylaminocarbonyl-triazolinones BAYER AG (DE) 1998-05-06 EP claimed
US-5550244-A Process for preparing sulphonylaminocarbonyltriazolinones BAYER AKTIENGESELLSCHAFT (DE) 1996-08-27 US claimed
EP-0659746-A1 Process for the preparation of sulfonylaminocarbonyl-triazolinones BAYER AG (DE) 1995-06-28 EP claimed
CN-115504896-B Acrylic formate compound for LED photopolymerization, preparation method and application thereof 湖北固润科技股份有限公司 2024-05-07 CN disclosed
WO-2024078413-A1 ACRYLOYL FORMATE COMPOUND FOR LED PHOTOPOLYMERIZATION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 湖北固润科技股份有限公司 2024-04-18 WO disclosed
CN-117142994-A Amphiphilic polyether alpha-ketone (hetero) arylthioester compound for LED photopolymerization and preparation and application thereof 湖北固润科技股份有限公司 2023-12-01 CN disclosed
CN-117142995-A Pyruvic acid (hetero) arylthioester compound for LED photopolymerization and preparation and application thereof 湖北固润科技股份有限公司 2023-12-01 CN disclosed
CN-115504896-A Acryloyl formate compound for LED photopolymerization, and preparation method and application thereof 湖北固润科技股份有限公司 2022-12-23 CN disclosed
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
EP-1844766-B1 Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2012-04-18 EP disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
WO-2001070683-A2 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2001-09-27 WO disclosed
WO-2001070727-A1 2-(ARYLALKYLAMINO)PYRIMIDONE DERIVATIVES AND 2-(HETEROARYLALKYLAMINO)PYRIMIDONE DERIVATIVES SANOFI-SYNTHELABO (FR) 2001-09-27 WO disclosed
EP-0659746-B1 Process for the preparation of sulfonylaminocarbonyl-triazolinones BAYER AG (DE) 1998-05-06 EP disclosed
EP-0603873-B1 Aminoketone derivatives MITSUBISHI CHEM CORP (JP) 1998-04-15 EP disclosed
US-5550244-A Process for preparing sulphonylaminocarbonyltriazolinones BAYER AKTIENGESELLSCHAFT (DE) 1996-08-27 US disclosed
EP-0659746-A1 Process for the preparation of sulfonylaminocarbonyl-triazolinones BAYER AG (DE) 1995-06-28 EP disclosed
US-5424325-A Inibitors of thiol protease and may be used as therapeutic agents for treating muscular dystrophy, cataracts, strokes MITSUBISHI KASEI CORPORATION (JP) 1995-06-13 US disclosed
EP-0603873-A1 Aminoketone derivatives Mitsubishi Chemical Corporation (JP) 1994-06-29 EP disclosed