SCHEMBL4650356

SCHEMBL4650356

O=S(=O)(O)CNc1ccc2cc(S(=O)(=O)O)c(CS(=O)(=O)O)c(O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.38
EGFR P00533 1/20 0.36
NSD2 O96028 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
PTPN11 Q06124 1/20 0.35
TNNI3 P19429 1/20 0.33
TNNT2 P45379 1/20 0.33
TNNC1 P63316 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
ENPP2 Q13822 3/20 0.32

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
SCHEMBL4650426 0.83 CA2 (0.35)
SCHEMBL4649791 0.78 NT5E (0.50) NT5ENSD2DUSP3PTPN5CASP7
SCHEMBL4436179 0.74 CASP6 (0.63) NT5EEGFRNSD2DUSP3PTPN5
SCHEMBL27503783 0.74 NSD2 (0.43) NSD2
SCHEMBL8776100 0.73 TTR (0.36) NT5ENSD2DUSP3PTPN5CASP7
SCHEMBL4651113 0.73 HTR6 (0.40) EGFRCASP6TNNI3TNNT2TNNC1
SCHEMBL4650504 0.69 SNCA (0.57) NT5ENSD2DUSP3PTPN5CASP7
SCHEMBL5704462 0.68 RAPGEF4 (0.41) NT5EEGFRNSD2CASP6TNNI3
SCHEMBL8081955 0.67 ALDH1A1 (0.58)
SCHEMBL11311089 0.67 CA2 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6159250-A Doubled reactive dyes BASF AKTIENGESELLSCHAFT (DE) 2000-12-12 US disclosed
EP-0798347-A1 Reactive monoazo dyes with a diazo compound derived from 5-substituted sulfanilic acid BASF AKTIENGESELLSCHAFT (DE) 1997-10-01 EP disclosed