SCHEMBL4836032

SCHEMBL4836032

CC(Cl)S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR6 P50406 1/20 0.46
PSIP1 O75475 1/20 0.44
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
TSHR P16473 3/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
PLA2G7 Q13093 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 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
SCHEMBL778854 0.80 HTR6 (0.50) HSD17B10ALDH1A1TDP1HTR6PSIP1
SCHEMBL4776371 0.80 ALDH1A1 (0.52) HSD17B10ALDH1A1TDP1HTR6PSIP1
SCHEMBL4327138 0.80 HTR6 (0.50) HSD17B10ALDH1A1TDP1HTR6PSIP1
SCHEMBL7092154 0.79 GAA (0.52) ALDH1A1KDM4ESMN1; SMN2TSHRCA12
SCHEMBL10767053 0.79 SMN1; SMN2 (0.41) HSD17B10ALDH1A1TDP1HTR6PSIP1
SCHEMBL3328703 0.78 HTR6 (0.48) HSD17B10ALDH1A1TDP1HTR6PSIP1
SCHEMBL28000108 0.77 PSEN1 (0.31)
SCHEMBL8951866 0.77 TSHR (0.50) ALDH1A1TDP1HTR6SMN1; SMN2TSHR
SCHEMBL10765775 0.77 KMT2A (0.49) ALDH1A1KDM4ESMN1; SMN2LMNAHPGD
SCHEMBL25001334 0.76 HTR6 (0.46) HSD17B10ALDH1A1TDP1HTR6PSIP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105175397-B A kind of hydrobromic acid eletriptan synthetic method 上海现代哈森(商丘)药业有限公司 2017-10-10 CN claimed
EP-1256608-B1 Inkjet inks HEWLETT PACKARD CO (US) 2005-11-30 EP claimed
EP-1256608-A2 Inkjet inks Hewlett-Packard Company (US) 2002-11-13 EP claimed
CN-105175397-B A kind of hydrobromic acid eletriptan synthetic method 上海现代哈森(商丘)药业有限公司 2017-10-10 CN disclosed
CN-103509135-B Olefin polymerization catalyst component, preparation method and application thereof CHINA PETROLEUM & CHEMICAL 2015-07-22 CN disclosed
US-7442780-B2 light fastness, wet and dry crock resistance, perspiration, dye-transfer staining and wash fastness NORTH CAROLINA STATE UNIVERSITY (US) 2008-10-28 US disclosed
US-20040204571-A1 Reactive dye compounds NORTH CAROLINA STATE UNIVERSITY 2004-10-14 US disclosed
EP-1442084-A2 REACTIVE DYE COMPOUNDS North Carolina State University (US) 2004-08-04 EP disclosed
EP-1066345-B1 REACTIVE DYE COMPOUNDS PROCTER & GAMBLE (US) 2003-03-12 EP disclosed
US-6518407-B1 Novel reactive dye compound is disclosed. It comprises (a) at least one chromophore moiety; (b) at least one nitrogen-containing heterocycle; (c) a linking group to link each chromophore moiety to each nitrogen-containing heterocycle; THE PROCTER & GAMBLE COMPANY 2003-02-11 US disclosed
WO-2002096995-A2 REACTIVE DYE COMPOUNDS NORTH CAROLINA STATE UNIVERSITY (US) 2002-12-05 WO disclosed
EP-1066346-A1 REACTIVE DYE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2001-01-10 EP disclosed
EP-1066345-A1 REACTIVE DYE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2001-01-10 EP disclosed
WO-1999051686-A1 REACTIVE DYE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1999-10-14 WO disclosed
WO-1999051683-A1 REACTIVE DYE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1999-10-14 WO disclosed
WO-1999051685-A1 REACTIVE DYE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1999-10-14 WO disclosed
WO-1999051684-A1 REACTIVE DYE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1999-10-14 WO disclosed
US-5420280-A Piperidin-4-spiro-oxiranes THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1995-05-30 US disclosed
EP-0523125-A1 NOVEL PIPERIDIN-4-SPIRO-OXIRANES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN (GB) 1993-01-20 EP disclosed
WO-1991015492-A1 NOVEL PIPERIDIN-4-SPIRO-OXIRANES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1991-10-17 WO disclosed