SCHEMBL13366836

SCHEMBL13366836

Cc1cc(/N=N/c2c(N)c(/N=N/c3ccc([SH](=O)=O)cc3S(=O)(=O)O)cc(S(=O)(=O)O)c2N)c(S(=O)(=O)O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 2/20 0.44
▸ ENPP2 Q13822 3/20 0.41
▸ SENP2 Q9HC62 6/20 0.39
▸ SENP1 Q9P0U3 5/20 0.39
▸ SUMO2 P61956 5/20 0.39
▸ SUMO1 P63165 5/20 0.39
▸ SENP7 Q9BQF6 5/20 0.39
▸ SENP3 Q9H4L4 3/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ THRB P10828 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ RECQL P46063 4/20 0.38
▸ TP53 P04637 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ BLM P54132 3/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ ALOX15 P16050 3/20 0.38
▸ MAPK1 P28482 3/20 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
SCHEMBL13366835 0.75 ENPP2 (0.49) PHLPP2ENPP2MEN1KMT2ATHRB
SCHEMBL16170738 0.71 SENP2 (0.67) PHLPP2ENPP2SENP2SENP1SUMO2
SCHEMBL15044931 0.71 ENPP2 (0.48) PHLPP2ENPP2SENP2SENP1SUMO2
SCHEMBL16170803 0.69 PHLPP2 (0.52) PHLPP2ENPP2SENP2SENP1SUMO2
SCHEMBL19154329 0.67 ALDH1A1 (0.62) PHLPP2ENPP2SENP2SENP1SUMO2
SCHEMBL15044698 0.66 SENP2 (0.70) PHLPP2ENPP2SENP2SENP1SUMO2
SCHEMBL8594655 0.66 SENP2 (0.70) PHLPP2ENPP2SENP2SENP1SUMO2
SCHEMBL16170723 0.66 SENP2 (0.59) PHLPP2ENPP2SENP2SENP1SUMO2
SCHEMBL13366851 0.66 ENPP2 (0.52) PHLPP2ENPP2MEN1KMT2ATHRB
SCHEMBL16170740 0.65 PHLPP2 (0.48) PHLPP2ENPP2SENP2SENP1SUMO2

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
WO-2010057830-A1 RING FLUORINATED REACTIVE DYES DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2010-05-27 — — WO disclosed
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