SCHEMBL13856901

SCHEMBL13856901

O=S(=O)(O)CCCOc1cc(N=Nc2ccc(SOOO)cc2)ccc1Nc1nc(NCCS(=O)(=O)O)nc(Nc2ccc(N=Nc3ccc(S(=O)(=O)O)cc3)cc2OCCCS(=O)(=O)O)n1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.35
▸ PHLPP2 Q6ZVD8 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
SCHEMBL13201680 0.96 PTPN11 (0.36) PTPN11
SCHEMBL13201668 0.91 GBA1 (0.33) PTPN11PHLPP2
SCHEMBL13856900 0.89 PTPN11 (0.35) PTPN11
SCHEMBL13201685 0.89 PTPN11 (0.38) PTPN11
SCHEMBL13201699 0.87 PTPN11 (0.36) PTPN11
SCHEMBL13856903 0.86 MAPT (0.39) PTPN11
SCHEMBL12432078 0.86 GBA1 (0.33) PTPN11
SCHEMBL13201678 0.85 PTPN11 (0.33) PTPN11
SCHEMBL13201689 0.85 PTPN11 (0.38) PTPN11
SCHEMBL13201667 0.84 PTPN11 (0.38) PTPN11PHLPP2

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-20090130399-A1 Water-Soluble Azo Compound, Ink Composition and Colored Article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-05-21 — — US disclosed
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