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SCHEMBL13201668

SCHEMBL13201668

COc1cc(N=Nc2ccc(S(=O)(=O)O)cc2)ccc1Nc1nc(NCCS(=O)(=O)O)nc(Nc2ccc(N=Nc3cccc(SOOO)c3)cc2OCCCS(=O)(=O)O)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 5/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ PTK2 Q05397 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
SCHEMBL12432078 0.96 GBA1 (0.33) GBA1PTPN11LRRK2EGFRPTK2
SCHEMBL13856900 0.92 PTPN11 (0.35) PTPN11
SCHEMBL13201696 0.92 PTPN11 (0.38) GBA1PTPN11
SCHEMBL13856901 0.91 PTPN11 (0.35) PHLPP2PTPN11
SCHEMBL13201666 0.90 PTPN11 (0.33) PTPN11PTK2
SCHEMBL13201699 0.90 PTPN11 (0.36) PTPN11
SCHEMBL13201678 0.90 PTPN11 (0.33) PTPN11
SCHEMBL13201669 0.89 PHLPP2 (0.33) PHLPP2PTPN11
SCHEMBL13201667 0.89 PTPN11 (0.38) GBA1PHLPP2PTPN11
SCHEMBL13201680 0.87 PTPN11 (0.36) 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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