SCHEMBL13599485

SCHEMBL13599485

C=CS(=O)(=O)c1ccc(Nc2nc(F)nc(Nc3ccc(N=Nc4cc5c(S(=O)(=O)O)cc(SOOO)cc5cc4S(=O)(=O)O)c(NC(N)=O)c3)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.32
▸ PTPN11 Q06124 1/20 0.31
▸ CA12 O43570 2/20 0.30
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA4 P22748 2/20 0.30
▸ CA6 P23280 2/20 0.30
▸ CA7 P43166 2/20 0.30
▸ CA9 Q16790 2/20 0.30
▸ CA13 Q8N1Q1 2/20 0.30
▸ CA14 Q9ULX7 2/20 0.30
▸ CD40 P25942 1/20 0.30
▸ CD40LG P29965 1/20 0.30
▸ CA3 P07451 1/20 0.30
▸ CA5A P35218 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
SCHEMBL12377651 0.94 FUT8 (0.38) FUT8PTPN11CA12CA1CA2
SCHEMBL12053422 0.94 FUT8 (0.38) FUT8PTPN11CA12CA1CA2
SCHEMBL13599474 0.88 CA12 (0.30) CA12CA1CA2CA4CA6
SCHEMBL13604238 0.88 CA12 (0.30) CA12CA1CA2CA4CA6
SCHEMBL14372026 0.87 FUT8 (0.37) FUT8PTPN11CA12CA1CA2
SCHEMBL14020997 0.86 FUT8 (0.38) FUT8PTPN11CA12CA1CA2
SCHEMBL14071632 0.86 FUT8 (0.38) FUT8PTPN11CA12CA1CA2
SCHEMBL13604277 0.85 KCNH3 (0.31) —
SCHEMBL13793182 0.85 FUT8 (0.38) FUT8PTPN11CA12CA1CA2
SCHEMBL13599481 0.84 MEN1 (0.31) PTPN11

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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