SCHEMBL547342

SCHEMBL547342

Nc1cc2ccccc2c(O)c1S(=O)(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.54
TTR P02766 1/20 0.43
CTRB1 P17538 1/20 0.43
MPL P40238 5/20 0.42
CTRC Q99895 2/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
APP P05067 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
SNCA P37840 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SUMO2 P61956 2/20 0.41

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
SCHEMBL5033007 0.88 CYP2D6 (0.64) CYP2D6TTRCTRB1MPLCTRC
SCHEMBL10383546 0.86 CYP2D6 (0.43) CYP2D6MPLCTRCAURKAAURKB
SCHEMBL601499 0.86 CYP2D6 (0.53) CYP2D6TTRMPLCTRCAURKA
SCHEMBL22191870 0.84 CYP2D6 (0.47) CYP2D6TTRMPLCTRCAURKA
SCHEMBL10415736 0.83 TTR (0.44) CYP2D6TTRCTRB1CTRCALDH1A1
SCHEMBL358296 0.82 CYP2D6 (0.57) CYP2D6CTRB1MPLCTRCALDH1A1
SCHEMBL5492758 0.82 CYP2D6 (0.57) CYP2D6CTRB1MPLCTRCCASP6
SCHEMBL9639758 0.82 CASP6 (0.67) CYP2D6ALDH1A1MEN1THRBKMT2A
SCHEMBL95847 0.81 CYP2D6 (0.51) CYP2D6TTRMPLCTRCAURKA
SCHEMBL10480253 0.80 ERN1 (0.45) CYP2D6TTRAURKAAURKBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073934-B Benzisothiazole heterocyclic azo dye and preparation method thereof 青岛理工大学 2024-04-12 CN claimed
CN-113683901-B Benzothiazole heterocycle azo type water-soluble dye and preparation method thereof 青岛理工大学 2024-03-26 CN claimed
CN-113683903-B Thiazole heterocycle azo type reactive dye and preparation method thereof 青岛理工大学 2024-03-15 CN claimed
CN-117164252-A Surface-modified glass fiber film and preparation method thereof 牛津大学(苏州)科技有限公司 2023-12-05 CN claimed
CN-115521263-A Polyfunctional group triazine type chromium-free tanning agent and preparation method thereof 南京工业大学 2022-12-27 CN claimed
CN-115073934-A Benzisothiazole heterocyclic azo dye and preparation method thereof 青岛理工大学 2022-09-20 CN claimed
CN-114702837-A High-performance high-storage-stability orange and red reactive dye and preparation method thereof 南京晓庄学院 2022-07-05 CN claimed
CN-112940523-B Continuous coupling reaction integrated device and application 沈阳化工研究院有限公司 2022-06-14 CN claimed
CN-114441460-A Method for calibrating photometric analyzer 恩德莱斯和豪瑟尔分析仪表两合公司 2022-05-06 CN claimed
US-20220136961-A1 METHOD FOR CALIBRATING A PHOTOMETRIC ANALYZER ENDRESS+HAUSER CONDUCTA GMBH+CO. KG (DE) 2022-05-05 US claimed
EP-0076922-B1 WATER-SOLUBLE DISAZO COMPOUNDS AND THEIR NEW COUPLING COMPONENTS, PROCESS FOR THEIR MANUFACTURE AND USE OF THE DISAZO COMPOUNDS AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1985-06-19 EP claimed
EP-0138303-A1 Naphthalene sulphonic acids IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-04-24 EP claimed
EP-0122881-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1984-10-24 EP claimed
EP-0076922-A1 Water-soluble disazo compounds and their new coupling components, process for their manufacture and use of the disazo compounds as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-04-20 EP claimed
US-4360460-A Novel azo dyes having a 4-sulfo-5-aminomethyl naphthalene coupling moiety CIBA-GEIGY AG (CH) 1982-11-23 US claimed
EP-0017768-B1 REACTIVE DYESTUFFS AND THEIR USE BASF Aktiengesellschaft (DE) 1981-11-25 EP claimed
US-4261889-A TRIAZINE DYES FOR COTTON CIBA-GEIGY CORP. (US) 1981-04-14 US claimed
EP-0017768-A1 Reactive dyestuffs and their use BASF Aktiengesellschaft (DE) 1980-10-29 EP claimed
US-4052380-A TRISAZO DYES CONTAINING TWO DIFFERENT AMINONAPHTHOLSULPHONIC ACID COUPLER COMPONENTS AZIENDE COLORI NAZIONALI AFFINI ACNA S.P.A. (IT) 1977-10-04 US claimed
US-3970422-A BASIC DYE TOYO BOSEKI KABUSHIKI KAISHA (JA) 1976-07-20 US claimed