SCHEMBL14040907

SCHEMBL14040907

COc1cc(N=Nc2c(N)ccc3c(O)c(N=Nc4cc(C)c(N=Nc5ccc(S(=O)(=O)C(C)OS(=O)(=O)O)cc5S(=O)(=O)O)cc4OC)c(S(=O)(=O)O)cc23)c(OC)cc1N=Nc1ccc(S(=O)(=O)C(C)OS(=O)(=O)O)cc1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.46
▸ PHLPP2 Q6ZVD8 2/20 0.42
▸ SUMO2 P61956 1/20 0.40
▸ SUMO1 P63165 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP3 Q9H4L4 1/20 0.40
▸ SENP2 Q9HC62 1/20 0.40
▸ SENP1 Q9P0U3 1/20 0.40
▸ PTPN1 P18031 3/20 0.40
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ TP53 P04637 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALOX15 P16050 2/20 0.38

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
SCHEMBL13744504 1.00 ENPP2 (0.46) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL13744450 0.96 ENPP2 (0.46) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL14499145 0.95 ENPP2 (0.44) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL13744512 0.94 ENPP2 (0.45) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL13744578 0.89 PHLPP2 (0.44) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL17384282 0.80 ENPP2 (0.46) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL15985943 0.79 ENPP2 (0.43) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL14388952 0.79 ENPP2 (0.43) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL13196221 0.79 ENPP2 (0.45) ENPP2PHLPP2SUMO2SUMO1SENP7
SCHEMBL18652606 0.78 ENPP2 (0.38) ENPP2PHLPP2PTPN1MEN1KMT2A

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-20080250575-A1 Fibre-Reactive Dyes, Their Preparation And Their Use HUNTSMAN INTERNATIONAL LLC 2008-10-16 — — US disclosed
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