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SCHEMBL14071657

SCHEMBL14071657

NC(=O)Nc1cc(Nc2nc(SCCNc3nc(Cl)nc(Cl)n3)nc(SCCNc3nc(Cl)nc(Cl)n3)n2)ccc1/N=N/c1cc2c(S(=O)(=O)O)cc(SOOO)cc2cc1S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ CARM1 Q86X55 1/20 0.31
▸ PRMT1 Q99873 1/20 0.31
▸ 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
SCHEMBL14071650 0.92 FUT8 (0.34) FUT8CARM1PRMT1CHRNA7
SCHEMBL14071647 0.91 CA12 (0.33) FUT8CA12CA1CA2CA9
SCHEMBL14020997 0.91 FUT8 (0.38) FUT8CA12CA1CA2CA9
SCHEMBL14071632 0.91 FUT8 (0.38) FUT8CA12CA1CA2CA9
SCHEMBL14071616 0.90 CA12 (0.33) FUT8CA12CA1CA2CA9
SCHEMBL14071641 0.90 PTPN11 (0.33) —
SCHEMBL13793182 0.85 FUT8 (0.38) FUT8CA12CA1CA2CA9
SCHEMBL14071648 0.84 PTPN11 (0.31) —
SCHEMBL12053422 0.83 FUT8 (0.38) FUT8CA12CA1CA2CA9
SCHEMBL12377651 0.83 FUT8 (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080216256-A1 Heterobifunctional reactive dyes comprising a cysteamine linking group NORTH CAROLINA STATE UNIVERSITY (US) 2008-09-11 — — US disclosed
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