SCHEMBL12925211

SCHEMBL12925211

COc1ccc(N=Nc2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(N=Nc4c(S(=O)(=O)O)cc5cc(OS(=O)O)c(N=Nc6ccc7c(O)c(N=Nc8ccc(OC)cc8S(=O)(=O)O)c(SOOO)cc7c6S(=O)(=O)O)c(O)c5c4N)ccc3c2O)c(SOOO)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 2/20 0.37
▸ ENPP2 Q13822 8/20 0.36
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ BRCA1 P38398 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ SLC10A1 Q14973 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL13713975 0.96 ENPP2 (0.40) PHLPP2ENPP2MEN1KMT2AHTT
SCHEMBL12878721 0.95 PHLPP2 (0.34) PHLPP2ENPP2
SCHEMBL12052423 0.93 ENPP2 (0.41) PHLPP2ENPP2MEN1KMT2AHTT
SCHEMBL1108407 0.92 ENPP2 (0.40) PHLPP2ENPP2MEN1KMT2AHTT
SCHEMBL12878720 0.91 ENPP2 (0.40) PHLPP2ENPP2CYP1A2
SCHEMBL13994859 0.91 ENPP2 (0.39) PHLPP2ENPP2MEN1KMT2AHTT
SCHEMBL13656158 0.89 PHLPP2 (0.39) PHLPP2ENPP2MEN1KMT2AHTT
SCHEMBL13994880 0.87 PHLPP2 (0.40) PHLPP2ENPP2MEN1KMT2AHTT
SCHEMBL14507135 0.85 PHLPP2 (0.36) PHLPP2ENPP2MEN1KMT2AHTT
SCHEMBL13239105 0.85 ENPP2 (0.44) PHLPP2ENPP2MEN1KMT2AHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7866809-B2 Mailing ink, and ink tank for mailing, ink jet recording method for mailing and ink jet recording apparatus for mailing using the same CANON KABUSHIKI KAISHA (JP) 2011-01-11 — — US disclosed
US-7247193-B2 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
US-7198664-B2 Ink jet black ink, ink set, ink jet recording method, ink cartridge, recording unit, and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2007-04-03 — — US disclosed
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