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SCHEMBL16626841

SCHEMBL16626841

C=C(O)/C(=C\C(=C/CS(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)Nc1nc(Cl)nc(Nc2ccc(/N=N/c3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3S(=O)(=O)O)c(NC(N)=O)c2)n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.33
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ CHAT P28329 1/20 0.31

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
SCHEMBL16624668 0.80 FUT8 (0.45) FUT8CA12CA1CA2CA9
SCHEMBL27404324 0.80 FUT8 (0.42) FUT8CA12CA1CA2CA9
SCHEMBL27404091 0.78 P2RY2 (0.39) FUT8CA12CA1CA2CA9
SCHEMBL6747988 0.77 CA12 (0.36) FUT8CA12CA1CA2CA9
SCHEMBL45600 0.76 FUT8 (0.44) FUT8CA12CA1CA2CA9
SCHEMBL27404369 0.75 FUT8 (0.39) FUT8CA12CA1CA2CA9
SCHEMBL13880709 0.75 FUT8 (0.42) FUT8CA12CA1CA2CA9
SCHEMBL15985984 0.74 FUT8 (0.43) FUT8CA12CA1CA2CA9
SCHEMBL14693000 0.73 CA9 (0.42) FUT8CA12CA1CA2CA9
SCHEMBL16626824 0.73 FUT8 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193870-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2015-11-24 — — US disclosed
US-20150096131-A1 Fibre-Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2015-04-09 — — US disclosed
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