SCHEMBL12028018

SCHEMBL12028018

COc1cc(S(=O)(=O)O)ccc1N=Nc1c(S(=O)(=O)O)cc2c(/N=N/c3ccc(S(=O)(=O)O)cc3[N+](=O)[O-])c(N)ccc2c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.55
▸ PHLPP2 Q6ZVD8 2/20 0.49
▸ HPGD P15428 3/20 0.44
▸ APEX1 P27695 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ THRB P10828 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ BRCA1 P38398 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ SLC10A1 Q14973 1/20 0.44

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
SCHEMBL12028008 0.88 ENPP2 (0.57) ENPP2PHLPP2HPGDAPEX1MEN1
SCHEMBL12027998 0.86 ENPP2 (0.57) ENPP2PHLPP2HPGDAPEX1MEN1
SCHEMBL12028000 0.76 ENPP2 (0.49) ENPP2PHLPP2MEN1KMT2ATHRB
SCHEMBL17384282 0.76 ENPP2 (0.46) ENPP2PHLPP2HPGDAPEX1MEN1
SCHEMBL13744450 0.76 ENPP2 (0.46) ENPP2PHLPP2HPGDAPEX1MEN1
SCHEMBL15268143 0.75 ENPP2 (0.49) ENPP2PHLPP2HPGDMEN1KMT2A
Phenaphthazine SCHEMBL3962052 0.75 CYP1A2 (0.53) ENPP2HPGDAPEX1MEN1KMT2A
Phenaphthazine SCHEMBL1554804 0.75 CYP1A2 (0.53) ENPP2HPGDAPEX1MEN1KMT2A
Phenaphthazine SCHEMBL8380113 0.75 CYP1A2 (0.53) ENPP2HPGDAPEX1MEN1KMT2A
SCHEMBL13744512 0.75 ENPP2 (0.45) ENPP2PHLPP2HPGDAPEX1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8465577-B2 Blue, red, and yellow dye compounds, and black ink composition comprising the same EVERLIGHT USA, INC. (US) 2013-06-18 — — US disclosed
US-20110308425-A1 BLUE, RED, AND YELLOW DYE COMPOUNDS, AND BLACK INK COMPOSITION COMPRISING THE SAME EVERLIGHT USA, INC. (US) 2011-12-22 — — US disclosed
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