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SCHEMBL14445776

SCHEMBL14445776

COc1ccc(N=Nc2c(S(=O)(=O)O)cc3c(C)c(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(N=Nc6ccc7c(O)c(N=Nc8ccccc8S(=O)(=O)O)c(SOOO)cc7c6)c(O)c5c4N)ccc3c2O)c(SOOO)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 13/20 0.45
▸ PHLPP2 Q6ZVD8 2/20 0.42
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL1108411 0.94 ENPP2 (0.45) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL12052419 0.94 ENPP2 (0.45) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL13388581 0.94 ENPP2 (0.47) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL13779694 0.92 ENPP2 (0.45) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL13994860 0.92 ENPP2 (0.45) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL13656157 0.90 PHLPP2 (0.41) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL13239158 0.89 ENPP2 (0.43) ENPP2PHLPP2CD40CD40LGPTPN11
SCHEMBL13779693 0.88 ENPP2 (0.45) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL12878720 0.88 ENPP2 (0.40) ENPP2PHLPP2CD40CD40LGCYP1A2
SCHEMBL13994856 0.88 ENPP2 (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-7247196-B2 Ink jet black ink, ink set, ink jet recording method, ink cartridge, recording unit, and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2007-07-24 — — US disclosed
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