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SCHEMBL14071647

SCHEMBL14071647

NC(=O)Nc1cc(Nc2nc(SCCNc3nc(Cl)nc(Nc4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4)n3)nc(SCCNc3nc(Cl)nc(Nc4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4)n3)n2)ccc1/N=N/c1cc2c(S(=O)(=O)O)cc(SOOO)cc2cc1S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ CA14 Q9ULX7 3/20 0.33
▸ FUT8 Q9BYC5 1/20 0.32
▸ CA5A P35218 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL14071616 0.99 CA12 (0.33) CA12CA1CA2CA9CA14
SCHEMBL13604230 0.93 FUT8 (0.36) CA12CA1CA2CA9CA14
SCHEMBL13793456 0.93 FUT8 (0.36) CA12CA1CA2CA9CA14
SCHEMBL13599483 0.93 FUT8 (0.36) CA12CA1CA2CA9CA14
SCHEMBL14071657 0.91 FUT8 (0.32) CA12CA1CA2CA9CA14
SCHEMBL14071649 0.90 CA12 (0.35) CA12CA1CA2CA9CA14
SCHEMBL13599477 0.87 CHAT (0.36) CA12CA1CA2CA9FUT8
SCHEMBL13340695 0.87 CHAT (0.36) CA12CA1CA2CA9FUT8
SCHEMBL13604284 0.87 FUT8 (0.35) CA12CA1CA2CA9CA14
SCHEMBL13599474 0.87 CA12 (0.30) CA12CA1CA2CA9CA14

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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