SCHEMBL14071648

SCHEMBL14071648

NC(=O)Nc1cc(Nc2nc(SCC(N)C(=O)O)nc(SCC(N)C(=O)O)n2)ccc1/N=N/c1cc2c(S(=O)(=O)O)cc(SOOO)cc2cc1S(=O)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 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
SCHEMBL14071641 0.90 PTPN11 (0.33) PTPN11
SCHEMBL14081050 0.89 MEN1 (0.35) PTPN11
SCHEMBL14071650 0.85 FUT8 (0.34) PTPN11
SCHEMBL14071632 0.84 FUT8 (0.38) PTPN11
SCHEMBL14020997 0.84 FUT8 (0.38) PTPN11
SCHEMBL14071657 0.84 FUT8 (0.32) —
SCHEMBL14071649 0.83 CA12 (0.35) —
SCHEMBL13793182 0.81 FUT8 (0.38) PTPN11
SCHEMBL13292128 0.80 PTPN11 (0.36) PTPN11
SCHEMBL12377651 0.79 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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