SCHEMBL16557822

SCHEMBL16557822

O=S(=O)(O)OCCS(=O)(=O)c1ccc(Nc2nc(F)nc(Nc3cc(S(=O)(=O)O)cc4cccc(O)c34)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 8/20 0.39
▸ CA2 P00918 8/20 0.39
▸ CA9 Q16790 8/20 0.39
▸ CA12 O43570 7/20 0.39
▸ CA14 Q9ULX7 5/20 0.39
▸ CA4 P22748 3/20 0.39
▸ CA6 P23280 3/20 0.39
▸ CA7 P43166 3/20 0.39
▸ CA3 P07451 2/20 0.39
▸ CA5A P35218 2/20 0.39
▸ FUT8 Q9BYC5 1/20 0.39
▸ CA13 Q8N1Q1 2/20 0.39
▸ MEN1 O00255 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ PTPN5 P54829 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ CASP6 P55212 1/20 0.33

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
SCHEMBL16557825 0.92 FUT8 (0.35) CA1CA2CA9CA12CA14
SCHEMBL16560586 0.92 CA1 (0.41) CA1CA2CA9CA12CA14
SCHEMBL16557838 0.91 FUT8 (0.48) CA1CA2CA9CA12CA14
SCHEMBL16560585 0.86 MEN1 (0.39) CA1CA2CA9CA12CA14
SCHEMBL16557815 0.84 FUT8 (0.45) CA1CA2CA9CA12CA14
SCHEMBL16557839 0.83 FUT8 (0.44) CA1CA2CA9CA12CA14
SCHEMBL16560589 0.83 FUT8 (0.50) CA1CA2CA9CA12CA14
SCHEMBL9340180 0.82 CA1 (0.47) CA1CA2CA9CA12CA14
SCHEMBL16560578 0.82 CASP6 (0.52) CA1CA2CA9CA12CA14
SCHEMBL16557824 0.82 APEX1 (0.43) CA1CA2CA9CA12CA14

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-9394445-B2 Method for continuously preparing water-soluble azo dye by coupling a nebulizer with a pipeline DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2016-07-19 — — US disclosed
US-20150073132-A1 METHOD FOR CONTINUOUSLY PREPARING WATER-SOLUBLE AZO DYE BY COUPLING A NEBULIZER WITH A PIPELINE DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2015-03-12 — — US disclosed
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