SCHEMBL14013096

SCHEMBL14013096

CN(CCSCCO)c1nc(Cl)nc(Nc2ccc(/N=N/c3c(N)c(SOOO)cc4cc(SOOO)cc(O)c34)c(SOOO)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38

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
SCHEMBL14013088 0.88 CA12 (0.34) CA12CA1CA2CA9
SCHEMBL14013089 0.87 FUT8 (0.32) —
SCHEMBL14013098 0.85 — —
SCHEMBL13482732 0.81 CA12 (0.34) CA12CA1CA2CA9
SCHEMBL14013106 0.80 CA12 (0.34) CA12CA1CA2CA9
SCHEMBL14013107 0.78 ENPP2 (0.36) —
SCHEMBL14013095 0.78 — —
SCHEMBL14013143 0.77 FUT8 (0.39) CA12CA1CA2CA9
SCHEMBL13482730 0.77 CA12 (0.30) CA12CA1CA2CA9
SCHEMBL14038441 0.76 CA1 (0.45) CA12CA1CA2CA9

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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