SCHEMBL13604248

SCHEMBL13604248

CCN(c1ccc(S(=O)(=O)CCOSOOO)cc1)c1nc(Cl)nc(Nc2ccc(SOOO)c(/N=N/c3c(N)c(/N=N/c4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4S(=O)(=O)O)cc(S(=O)(=O)O)c3N)c2)n1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 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
SCHEMBL13604253 0.95 — —
SCHEMBL13604260 0.89 CHAT (0.36) CA12CA1CA2CA9
SCHEMBL12053285 0.77 FUT8 (0.36) —
SCHEMBL13604261 0.77 FUT8 (0.40) CA12CA1CA2CA9
SCHEMBL14004225 0.77 CA1 (0.41) CA12CA1CA2CA9
SCHEMBL12052875 0.76 ENPP2 (0.44) —
SCHEMBL13996418 0.76 ENPP2 (0.33) —
SCHEMBL12052809 0.75 ENPP2 (0.36) —
SCHEMBL13604270 0.75 ENPP2 (0.41) —
SCHEMBL13341049 0.75 FUT8 (0.36) —

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-20090320217-A1 MIXTURES OF FIBRE-REACTIVE AZO DYES DYSTAR TEXTIFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-12-31 — — US disclosed
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