SCHEMBL13604261

SCHEMBL13604261

Nc1c(/N=N/c2cc(Nc3nc(Cl)nc(Nc4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4)n3)c(SOOO)cc2SOOO)cc(S(=O)(=O)O)c(N)c1/N=N/c1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.40
▸ CHAT P28329 4/20 0.37
▸ USP2 O75604 2/20 0.37
▸ APEX1 P27695 2/20 0.37
▸ THRB P10828 2/20 0.35
▸ ENPP2 Q13822 2/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ HPGDS O60760 1/20 0.32
▸ CA12 O43570 3/20 0.31
▸ CA1 P00915 3/20 0.31
▸ CA2 P00918 3/20 0.31
▸ CA9 Q16790 3/20 0.31
▸ CA14 Q9ULX7 3/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ P2RX2 Q9UBL9 1/20 0.31
▸ CA5A P35218 1/20 0.30
▸ CA5B Q9Y2D0 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
SCHEMBL13604222 0.82 THRB (0.42) CHATTHRBENPP2MEN1MAPT
SCHEMBL13604245 0.82 THRB (0.42) CHATTHRBENPP2MEN1MAPT
SCHEMBL12053489 0.81 THRB (0.46) FUT8CHATUSP2APEX1THRB
SCHEMBL13604260 0.80 CHAT (0.36) FUT8CHATUSP2APEX1ENPP3
SCHEMBL12053476 0.79 THRB (0.46) FUT8CHATUSP2APEX1THRB
SCHEMBL13604266 0.79 THRB (0.40) THRBENPP2MEN1MAPTHPGD
SCHEMBL13538878 0.79 FUT8 (0.44) FUT8CHATUSP2APEX1THRB
SCHEMBL13340692 0.78 FUT8 (0.40) FUT8CHATUSP2APEX1THRB
SCHEMBL12053499 0.78 FUT8 (0.44) FUT8CHATUSP2APEX1THRB
SCHEMBL13340562 0.77 THRB (0.43) FUT8CHATUSP2APEX1THRB

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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