SCHEMBL14546967

SCHEMBL14546967

Nc1nc(N)c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2S(=O)(=O)O)cc1/N=N/c1cc(Nc2nc(F)nc(Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)n2)ccc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 6/20 0.36
▸ CA1 P00915 5/20 0.36
▸ CA2 P00918 5/20 0.36
▸ CA12 O43570 4/20 0.36
▸ CA4 P22748 3/20 0.36
▸ CA6 P23280 3/20 0.36
▸ CA7 P43166 3/20 0.36
▸ CA14 Q9ULX7 3/20 0.36
▸ CA3 P07451 2/20 0.36
▸ CA5A P35218 2/20 0.36
▸ CA13 Q8N1Q1 2/20 0.35
▸ FUT8 Q9BYC5 1/20 0.33
▸ THRB P10828 1/20 0.31
▸ CHAT P28329 2/20 0.31
▸ USP2 O75604 1/20 0.30
▸ APEX1 P27695 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
SCHEMBL14546911 0.91 CA1 (0.36) CA9CA1CA2CA12CA4
SCHEMBL12053257 0.89 CA12 (0.35) CA9CA1CA2CA12CA4
SCHEMBL14546982 0.88 ENPP2 (0.30) —
SCHEMBL14546956 0.86 FUT8 (0.41) CA9CA1CA2CA12CA14
SCHEMBL14546977 0.86 CHAT (0.43) CA9CA1CA2CA12CA14
SCHEMBL14546998 0.83 ENPP1 (0.37) THRB
SCHEMBL13340693 0.82 ENPP2 (0.37) CA9CA1CA2CA12CA4
SCHEMBL14546951 0.82 ENPP2 (0.32) —
SCHEMBL14546923 0.81 FUT8 (0.37) CA9CA1CA2CA12CA4
SCHEMBL6747988 0.81 CA12 (0.36) CA9CA1CA2CA12CA4

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
WO-2007039573-A2 AZO REACTIVE DYES AND MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND THEIR USE DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-04-12 — — WO disclosed
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