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SCHEMBL13994881

SCHEMBL13994881

COc1ccc(N=Nc2c(SOOO)cc3c(S(=O)(=O)O)c(N=Nc4c(SOOO)cc5cc(S(=O)(=O)O)c(N=Nc6ccc7c(O)c(N=Nc8ccccc8SOOO)c(S(=O)(=O)O)cc7c6)c(O)c5c4N)ccc3c2O)c(S(=O)(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 2/20 0.42
▸ ENPP2 Q13822 12/20 0.41
▸ CD40 P25942 1/20 0.37
▸ CD40LG P29965 1/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35

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
SCHEMBL13994880 0.95 PHLPP2 (0.40) PHLPP2ENPP2CD40CD40LGPTPN11
SCHEMBL13994866 0.94 ENPP2 (0.43) PHLPP2ENPP2CD40CD40LGCYP1A2
SCHEMBL13994876 0.93 PHLPP2 (0.44) PHLPP2ENPP2CD40CD40LGCYP1A2
SCHEMBL1108411 0.92 ENPP2 (0.45) PHLPP2ENPP2CD40CD40LGCYP1A2
SCHEMBL12052419 0.92 ENPP2 (0.45) PHLPP2ENPP2CD40CD40LGCYP1A2
SCHEMBL13779693 0.92 ENPP2 (0.45) PHLPP2ENPP2CD40CD40LGCYP1A2
SCHEMBL13994859 0.91 ENPP2 (0.39) PHLPP2ENPP2CD40CD40LGCYP1A2
SCHEMBL1108407 0.90 ENPP2 (0.40) PHLPP2ENPP2CD40CD40LGCYP1A2
SCHEMBL13994864 0.89 ENPP2 (0.42) PHLPP2ENPP2CD40CD40LGPTPN11
SCHEMBL13994856 0.89 ENPP2 (0.42) PHLPP2ENPP2CD40CD40LGPTPN11

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-7462228-B2 Water-base black ink composition and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-12-09 — — US disclosed
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