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SCHEMBL13994856

SCHEMBL13994856

COc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(N=Nc4c(S(=O)(=O)O)cc5cc(SOOO)c(N=Nc6ccc7cc(SOOO)c(N=Nc8ccc(OC)cc8S(=O)(=O)O)c(O)c7c6)c(N)c5c4O)ccc3c2O)c(SOOO)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 14/20 0.42
▸ PHLPP2 Q6ZVD8 1/20 0.40
▸ CD40 P25942 1/20 0.40
▸ CD40LG P29965 1/20 0.40
▸ PTPN11 Q06124 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL13994864 0.97 ENPP2 (0.42) ENPP2PHLPP2CD40CD40LGPTPN11
SCHEMBL13239158 0.96 ENPP2 (0.43) ENPP2PHLPP2CD40CD40LGPTPN11
SCHEMBL13994860 0.95 ENPP2 (0.45) ENPP2PHLPP2CD40CD40LGPTPN11
SCHEMBL13994866 0.95 ENPP2 (0.43) ENPP2PHLPP2CD40CD40LGPTPN11
SCHEMBL13388581 0.94 ENPP2 (0.47) ENPP2PHLPP2CD40CD40LGPTPN11
SCHEMBL13779693 0.94 ENPP2 (0.45) ENPP2PHLPP2CD40CD40LGPTPN11
SCHEMBL13994880 0.93 PHLPP2 (0.40) ENPP2PHLPP2CD40CD40LGPTPN11
SCHEMBL13994861 0.93 ENPP2 (0.49) ENPP2PHLPP2CD40CD40LGPTPN11
SCHEMBL13994982 0.93 ENPP2 (0.42) ENPP2PHLPP2CD40CD40LGPTPN11
SCHEMBL14374683 0.93 PHLPP2 (0.42) ENPP2PHLPP2CD40CD40LGPTPN11

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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