SCHEMBL12028012

SCHEMBL12028012

COc1cc(S(=O)(=O)O)ccc1N=Nc1cc(S(=O)(=O)O)c(N)c(N=Nc2ccc(C)cc2OC)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.50
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ THRB P10828 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ RECQL P46063 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ APEX1 P27695 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ BRCA1 P38398 2/20 0.49
▸ BLM P54132 2/20 0.49
▸ SLC10A1 Q14973 1/20 0.49
▸ SUMO2 P61956 2/20 0.48

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
SCHEMBL12028004 0.94 ENPP2 (0.54) ENPP2MEN1KMT2AALDH1A1KDM4E
SCHEMBL15044700 0.85 PHLPP2 (0.47) ENPP2MEN1KMT2AALDH1A1KDM4E
SCHEMBL16170914 0.81 PHLPP2 (0.46) ENPP2MEN1KMT2AALDH1A1KDM4E
SCHEMBL12028010 0.80 PHLPP2 (0.55) ENPP2MEN1KMT2AALDH1A1KDM4E
SCHEMBL12028008 0.79 ENPP2 (0.57) ENPP2MEN1KMT2AALDH1A1KDM4E
SCHEMBL16170822 0.79 SENP2 (0.48) ENPP2MEN1KMT2AALDH1A1KDM4E
SCHEMBL13599487 0.78 TP53 (0.48) ENPP2MEN1KMT2AALDH1A1KDM4E
SCHEMBL12028003 0.75 ENPP2 (0.52) ENPP2MEN1KMT2AALDH1A1KDM4E
SCHEMBL15044760 0.74 PHLPP2 (0.48) ENPP2MEN1KMT2AALDH1A1THRB
SCHEMBL16173908 0.74 PHLPP2 (0.48) ENPP2MEN1KMT2AALDH1A1THRB

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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