SCHEMBL4650504

SCHEMBL4650504

O=S(=O)(O)CNc1ccc2cc(S(=O)(=O)O)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.57
ALDH1A1 P00352 4/20 0.44
CASP6 P55212 3/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NT5E P21589 2/20 0.42
NSD2 O96028 2/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
CASP7 P55210 1/20 0.42
PTPN11 Q06124 1/20 0.42
PRMT1 Q99873 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
CA2 P00918 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL4436179 0.85 CASP6 (0.63) SNCAALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL8081955 0.84 ALDH1A1 (0.58) SNCAALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL1373255 0.83 PRMT1 (0.65) SNCAALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL6079530 0.81 SNCA (0.54) SNCAALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL10584051 0.80 SNCA (0.54) SNCAALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL5436903 0.79 SNCA (0.53) SNCAALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL30233294 0.79 SNCA (0.62) SNCAALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL305423 0.79 SNCA (0.62) SNCAALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL300937 0.79 SNCA (0.62) SNCAALDH1A1CASP6HSD17B10CYP2C9
SCHEMBL27263654 0.78 SNCA (0.64) SNCAALDH1A1CASP6HSD17B10CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106904710-A A kind of flocculant spiral pipeline, preparation method and applications 徐州工程学院 2017-06-30 CN disclosed
EP-1000123-B1 USE OF REACTIVE DYES FOR DYEING HAIR BASF SE (DE) 2008-09-10 EP disclosed
EP-1062279-B1 REACTIVE DYES WITH A COMBINATION ANCHOR DYSTAR TEXTILFARBEN GMBH & CO (DE) 2003-09-10 EP disclosed
US-6485527-B1 Use of reactive dyes for dyeing hair BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 US disclosed
EP-0929610-B1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-08-28 EP disclosed
US-6410698-B1 FIBER REACTIVE DYE; RED COLOR; WATERPROOFING, COLORFASTNESS BASF AKTIENGESELLSCHAFT (DE) 2002-06-25 US disclosed
EP-1027387-B1 DOUBLE REACTIVE DYES DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-02-06 EP disclosed
US-6197941-B1 TRIAZINE, METALLIZED, AZO, ANTHRAQUINONE, FORMAZAN, PHTHALOCYANINE, AND DIOXAZINE DYES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
EP-1062279-A1 REACTIVE DYES WITH A COMBINATION ANCHOR BASF AKTIENGESELLSCHAFT (DE) 2000-12-27 EP disclosed
US-6159250-A Doubled reactive dyes BASF AKTIENGESELLSCHAFT (DE) 2000-12-12 US disclosed
EP-1000123-A2 USE OF REACTIVE DYES FOR DYEING HAIR BASF AKTIENGESELLSCHAFT (DE) 2000-05-17 EP disclosed
WO-1999047608-A1 REACTIVE DYES WITH A COMBINATION ANCHOR BASF AKTIENGESELLSCHAFT (DE) 1999-09-23 WO disclosed
EP-0929610-A1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR BASF AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
WO-1999005222-A2 USE OF REACTIVE DYES FOR DYEING HAIR BASF AKTIENGESELLSCHAFT (DE) 1999-02-04 WO disclosed
WO-1998014522-A1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR BASF AKTIENGESELLSCHAFT (DE) 1998-04-09 WO disclosed
WO-1997043345-A1 REACTIVE AZO DYES WITH A REACTIVE-ANCHOR-CARRYING DIAZO COMPONENT FROM THE SERIES OF M-PHENYLENE DIAMINE ZAMPONI, ANDREA 1997-11-20 WO disclosed