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Sugi Predict / Compounds / SCHEMBL13482730

SCHEMBL13482730

SCHEMBL13482730

CCN(c1cccc(S(=O)(=O)CCOS(=O)(=O)O)c1)c1nc(Cl)nc(Nc2ccc(N=Nc3c(N)c(SOOO)cc4cc(SOOO)cc(O)c34)c(SOOO)c2)n1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ FUT8 Q9BYC5 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
SCHEMBL13482731 0.93 ENPP2 (0.32) CA12CA1CA2CA9
SCHEMBL13483285 0.82 FUT8 (0.42) CA12CA1CA2CA9FUT8
SCHEMBL13809252 0.80 FUT8 (0.34) FUT8
SCHEMBL14013089 0.79 FUT8 (0.32) FUT8
SCHEMBL13483284 0.79 ENPP2 (0.48) CA12CA1CA2CA9FUT8
SCHEMBL13604253 0.78 — —
SCHEMBL12054236 0.77 — —
SCHEMBL13604267 0.77 FUT8 (0.31) FUT8
SCHEMBL14013096 0.77 CA12 (0.38) CA12CA1CA2CA9
SCHEMBL16389050 0.77 FUT8 (0.44) CA12CA1CA2CA9FUT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666232-B2 Triazine dyes; reproducibility, leveling, washing off and toughness; mixture with yellow reactive dye comprising Color Index (C.I.) Reactive Yellow 145 and/or C.I. Reactive Yellow 176; and blue reactive dye selected from C.I. Reactive Blue 194, C.I. Reactive Blue 221 and C.I. Reactive Blue 222 EVERLIGHT USA, INC. (US) 2010-02-23 — — US disclosed
US-20070094813-A1 Reactive trichromatic dye set EVERLIGHT USA, INC. (US) 2007-05-03 — — US disclosed
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