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Sugi Predict / Compounds / SCHEMBL14013139

SCHEMBL14013139

SCHEMBL14013139

CN(CCSCCO)c1nc(Cl)nc(Nc2ccc(S(=O)(=O)O)c(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5cc(Nc6nc(N(C)CCSCCO)nc(-[n+]7ccc(C(=O)O)cc7)n6)ccc5S(=O)(=O)O)c(N)c4c3O)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.39
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CARM1 Q86X55 1/20 0.32
▸ PRMT1 Q99873 1/20 0.32
▸ ENPP2 Q13822 1/20 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
SCHEMBL14013138 0.91 FUT8 (0.47) FUT8CA12CA1CA2CA9
SCHEMBL14013147 0.82 FUT8 (0.49) FUT8CA12CA1CA2CA9
SCHEMBL16551912 0.79 FUT8 (0.49) FUT8CA12CA1CA2CA9
SCHEMBL14021976 0.79 FUT8 (0.51) FUT8CA12CA1CA2CA9
SCHEMBL14045367 0.77 FUT8 (0.48) FUT8CA12CA1CA2CA9
SCHEMBL14045325 0.77 FUT8 (0.60) FUT8CA12CA1CA2CA9
SCHEMBL14038464 0.76 ENPP2 (0.40) FUT8CA12CA1CA2CA9
SCHEMBL14021978 0.75 FUT8 (0.46) FUT8CA12CA1CA2CA9
SCHEMBL14021974 0.75 FUT8 (0.46) FUT8CA12CA1CA2CA9
SCHEMBL14038441 0.75 CA1 (0.45) FUT8CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280053-A1 Reactive Dyes Containing Divalent Sulfur in Non-Reactive Side Chain at Trizine Nucleus DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-11-13 — — US disclosed
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