SCHEMBL13201696

SCHEMBL13201696

COc1cc(N=Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)ccc1Nc1nc(NCCS(=O)(=O)O)nc(Nc2ccc(N=Nc3cccc(SOOO)c3)cc2OCCCS(=O)(=O)O)n1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.38
▸ ENPP2 Q13822 1/20 0.36
▸ GBA1 P04062 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
SCHEMBL13201668 0.92 GBA1 (0.33) PTPN11GBA1
SCHEMBL12432078 0.92 GBA1 (0.33) PTPN11GBA1
SCHEMBL13201681 0.89 PTPN11 (0.36) PTPN11ENPP2
SCHEMBL13201685 0.88 PTPN11 (0.38) PTPN11ENPP2
SCHEMBL13856900 0.88 PTPN11 (0.35) PTPN11
SCHEMBL13201667 0.87 PTPN11 (0.38) PTPN11ENPP2GBA1
SCHEMBL13201666 0.86 PTPN11 (0.33) PTPN11
SCHEMBL13201699 0.86 PTPN11 (0.36) PTPN11ENPP2
SCHEMBL13201678 0.86 PTPN11 (0.33) PTPN11
SCHEMBL13201669 0.85 PHLPP2 (0.33) PTPN11ENPP2

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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