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Sugi Predict / Compounds / SCHEMBL13201681

SCHEMBL13201681

SCHEMBL13201681

O=S(=O)(O)CCCOc1cc(N=Nc2cccc(SOOO)c2)ccc1Nc1nc(NCCS(=O)(=O)O)nc(Nc2ccc(N=Nc3cc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c4c3)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.36
▸ FUT8 Q9BYC5 1/20 0.30
▸ ENPP2 Q13822 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
SCHEMBL13201689 0.91 PTPN11 (0.38) PTPN11
SCHEMBL13201685 0.90 PTPN11 (0.38) PTPN11FUT8ENPP2
SCHEMBL13201696 0.89 PTPN11 (0.38) PTPN11ENPP2
SCHEMBL13201699 0.89 PTPN11 (0.36) PTPN11ENPP2
SCHEMBL13856900 0.87 PTPN11 (0.35) PTPN11
SCHEMBL13201687 0.86 PTPN11 (0.39) PTPN11FUT8ENPP2
SCHEMBL13201668 0.86 GBA1 (0.33) PTPN11
SCHEMBL12432078 0.84 GBA1 (0.33) PTPN11
SCHEMBL13201680 0.84 PTPN11 (0.36) PTPN11
SCHEMBL13201678 0.84 PTPN11 (0.33) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7771525-B2 Water-soluble azo compound or salt thereof, ink composition and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-08-10 — — US disclosed
US-20100068475-A1 WATER-SOLUBLE AZO COMPOUND OR SALT THEREOF, INK COMPOSITION AND COLORED PRODUCT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-03-18 — — US disclosed
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