SCHEMBL14693000

SCHEMBL14693000

Cc1ccc(Nc2nc(Cl)nc(Nc3ccc(/N=N/c4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4S(=O)(=O)O)c(N)c3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 11/20 0.42
▸ CA12 O43570 10/20 0.42
▸ CA1 P00915 10/20 0.42
▸ CA2 P00918 10/20 0.42
▸ FUT8 Q9BYC5 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CHAT P28329 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ CA14 Q9ULX7 6/20 0.39
▸ APP P05067 2/20 0.38
▸ PTGS2 P35354 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA5B Q9Y2D0 1/20 0.37
▸ SNCA P37840 1/20 0.36

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
SCHEMBL14693200 0.93 CHAT (0.38) CA9CA12CA1CA2FUT8
SCHEMBL14546956 0.89 FUT8 (0.41) CA9CA12CA1CA2FUT8
SCHEMBL14613192 0.84 FUT8 (0.39) CA9CA12CA1CA2FUT8
SCHEMBL21239133 0.83 CHAT (0.45) CA9CA12CA1CA2FUT8
SCHEMBL14547014 0.83 FUT8 (0.42) CA9CA12CA1CA2FUT8
SCHEMBL13341085 0.81 FUT8 (0.37) CA9CA12CA1CA2FUT8
SCHEMBL14546977 0.81 CHAT (0.43) CA9CA12CA1CA2FUT8
SCHEMBL14582554 0.80 CA9 (0.42) CA9CA12CA1CA2MEN1
SCHEMBL16560577 0.80 FUT8 (0.45) CA9CA12CA1CA2FUT8
SCHEMBL14514299 0.80 FUT8 (0.54) CA9CA12CA1CA2FUT8

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-8372161-B2 Method for the reactive coloring of leather BASF SE (DE) 2013-02-12 — — US disclosed
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