SCHEMBL13998607

SCHEMBL13998607

O=S(=O)(O)OCCS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3cc(S(=O)(=O)O)cc4cc(SOOO)c(/N=N/c5ccc6c(S(=O)(=O)O)cccc6c5SOOO)c(O)c34)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.54
▸ MEN1 O00255 2/20 0.37
▸ THRB P10828 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ DNASE1L3 Q13609 1/20 0.32
▸ ENPP2 Q13822 3/20 0.32
▸ CARM1 Q86X55 1/20 0.32
▸ PRMT1 Q99873 1/20 0.32
▸ CHAT P28329 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30

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
SCHEMBL13538879 0.95 FUT8 (0.53) FUT8MEN1THRBKMT2ATDP1
SCHEMBL13599478 0.90 FUT8 (0.49) FUT8MEN1THRBKMT2ACYP1A2
SCHEMBL14585721 0.90 FUT8 (0.49) FUT8MEN1THRBKMT2ACYP1A2
SCHEMBL14372027 0.90 FUT8 (0.49) FUT8MEN1THRBKMT2ATDP1
SCHEMBL12053492 0.88 FUT8 (0.44) FUT8MEN1THRBKMT2ATDP1
SCHEMBL13599534 0.86 FUT8 (0.60) FUT8MEN1THRBKMT2ACYP1A2
SCHEMBL13949157 0.86 FUT8 (0.41) FUT8MEN1THRBKMT2ATDP1
SCHEMBL13138839 0.85 FUT8 (0.65) FUT8MEN1THRBKMT2ATDP1
SCHEMBL29886810 0.85 FUT8 (0.65) FUT8MEN1THRBKMT2ATDP1
SCHEMBL14514300 0.85 FUT8 (0.65) FUT8MEN1THRBKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468081-B2 Mono-, di-or trichromatic dyeing or printing of natural or synthetic polyamide fiber materials DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-12-23 — — US disclosed
US-7381228-B2 Mono-, Di- or Trichromatic Dyeing or Printing of Natural or Synthetic Polyamide Fiber Materials DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-06-03 — — US disclosed
US-20070199162-A1 Mono-, Di- or Trichromatic Dyeing or Printing of Natural or Synthetic Polyamide Fiber Materials DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2007-08-30 — — US disclosed
US-20070199163-A1 Mono-, Di- or Trichromatic Dyeing or Printing of Natural or Synthetic Polyamide Fiber Materials DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2007-08-30 — — US disclosed
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