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SCHEMBL13994896

SCHEMBL13994896

COc1ccc(N=Nc2c(SOOO)cc3cc(N=Nc4c(SOOO)cc5cc(S(=O)(=O)O)c(N=Nc6ccc7cc(S(=O)(=O)O)c(N=Nc8cc(S(=O)(=O)O)ccc8SOOO)c(O)c7c6)c(N)c5c4O)ccc3c2O)c(S(=O)(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 15/20 0.46
▸ CD40 P25942 1/20 0.42
▸ CD40LG P29965 1/20 0.42
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL13779693 0.92 ENPP2 (0.45) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL13239158 0.91 ENPP2 (0.43) ENPP2CD40CD40LGPHLPP2MEN1
SCHEMBL13994856 0.91 ENPP2 (0.42) ENPP2CD40CD40LGPHLPP2MEN1
SCHEMBL13994866 0.91 ENPP2 (0.43) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL13994864 0.89 ENPP2 (0.42) ENPP2CD40CD40LGPHLPP2MEN1
SCHEMBL13994982 0.89 ENPP2 (0.42) ENPP2CD40CD40LGPHLPP2MEN1
SCHEMBL13388581 0.88 ENPP2 (0.47) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL13239151 0.88 ENPP2 (0.43) ENPP2CD40CD40LGPHLPP2CYP1A2
SCHEMBL13994985 0.88 ENPP2 (0.42) ENPP2CD40CD40LGPHLPP2MEN1
SCHEMBL14220630 0.88 ENPP2 (0.52) ENPP2CD40CD40LGPHLPP2MEN1

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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