SCHEMBL14071641

SCHEMBL14071641

NCCSc1nc(Nc2ccc(/N=N/c3cc4c(S(=O)(=O)O)cc(SOOO)cc4cc3S(=O)(=O)O)c(NC(N)=O)c2)nc(SCCN)n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.33
▸ MAPK8 P45983 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 0.95 FUT8 (0.34) PTPN11
SCHEMBL14071657 0.90 FUT8 (0.32) —
SCHEMBL14071648 0.90 PTPN11 (0.31) PTPN11
SCHEMBL14020997 0.87 FUT8 (0.38) PTPN11
SCHEMBL14071632 0.87 FUT8 (0.38) PTPN11
SCHEMBL13793182 0.83 FUT8 (0.38) PTPN11
SCHEMBL14071647 0.83 CA12 (0.33) —
SCHEMBL13292128 0.83 PTPN11 (0.36) PTPN11
SCHEMBL14071616 0.82 CA12 (0.33) —
SCHEMBL12053422 0.82 FUT8 (0.38) 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 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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