SCHEMBL13599483

SCHEMBL13599483

NC(=O)Nc1cc(Nc2nc(Cl)nc(Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)n2)ccc1N=Nc1cc2c(S(=O)(=O)O)cc(SOOO)cc2cc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.36
▸ CHAT P28329 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ CA12 O43570 11/20 0.32
▸ CA1 P00915 11/20 0.32
▸ CA2 P00918 11/20 0.32
▸ CA9 Q16790 11/20 0.32
▸ CA14 Q9ULX7 3/20 0.32
▸ CARM1 Q86X55 1/20 0.31
▸ PRMT1 Q99873 1/20 0.31
▸ ENPP3 O14638 1/20 0.30
▸ ENPP1 P22413 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA5B Q9Y2D0 1/20 0.30
▸ CHRNA7 P36544 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
SCHEMBL13604230 1.00 FUT8 (0.36) FUT8CHATUSP2APEX1CA12
SCHEMBL13793456 1.00 FUT8 (0.36) FUT8CHATUSP2APEX1CA12
SCHEMBL13340695 0.94 CHAT (0.36) FUT8CHATUSP2APEX1CA12
SCHEMBL13599477 0.94 CHAT (0.36) FUT8CHATUSP2APEX1CA12
SCHEMBL13604284 0.94 FUT8 (0.35) FUT8CHATUSP2APEX1CA12
SCHEMBL13599474 0.94 CA12 (0.30) CA12CA1CA2CA9CA14
SCHEMBL13604238 0.94 CA12 (0.30) CA12CA1CA2CA9CA14
SCHEMBL14071647 0.93 CA12 (0.33) FUT8CA12CA1CA2CA9
SCHEMBL14071616 0.93 CA12 (0.33) FUT8CA12CA1CA2CA9
SCHEMBL13604280 0.91 CARM1 (0.31) FUT8CA12CA1CA2CA9

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-7632316-B2 Reactive dyestuff, method for production thereof and use of the same DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-12-15 — — US disclosed
US-20080189880-A1 Reactive Dyestuff, Method For Production Thereof and Use of the Same DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-08-14 — — US disclosed
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