SCHEMBL18633562

SCHEMBL18633562

COc1cc(N=Nc2cc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3cc2S(=O)(=O)O)c(C)cc1N=Nc1ccc(N)c2c(S(=O)(=O)O)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.49
▸ PHLPP2 Q6ZVD8 2/20 0.44
▸ SENP2 Q9HC62 4/20 0.42
▸ SUMO2 P61956 3/20 0.42
▸ SUMO1 P63165 3/20 0.42
▸ SENP7 Q9BQF6 3/20 0.42
▸ SENP3 Q9H4L4 3/20 0.42
▸ SENP1 Q9P0U3 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ THRB P10828 2/20 0.42
▸ ATIC P31939 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL15255615 0.87 ENPP2 (0.42) ENPP2PHLPP2SENP2SUMO2SUMO1
SCHEMBL17460971 0.86 ENPP2 (0.47) ENPP2PHLPP2SENP2SUMO2SUMO1
SCHEMBL17283957 0.86 ENPP2 (0.47) ENPP2PHLPP2SENP2SUMO2SUMO1
SCHEMBL12062856 0.84 ENPP2 (0.49) ENPP2PHLPP2SENP2SUMO2SUMO1
SCHEMBL17284074 0.83 ENPP2 (0.53) ENPP2PHLPP2SENP2SUMO2SUMO1
SCHEMBL18633387 0.83 ENPP2 (0.47) ENPP2PHLPP2SENP2SUMO2SUMO1
SCHEMBL17280514 0.81 TP53 (0.43) ENPP2PHLPP2SENP2SUMO2SUMO1
SCHEMBL17280519 0.81 TP53 (0.43) ENPP2PHLPP2SENP2SUMO2SUMO1
SCHEMBL8779974 0.79 SENP2 (0.48) ENPP2PHLPP2SENP2SUMO2SUMO1
SCHEMBL12054251 0.79 ENPP2 (0.44) ENPP2PHLPP2SENP2SUMO2SUMO1

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
EP-2061844-B1 MIXTURES OF REACTIVE DYES AND THEIR USE IN A METHOD FOR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MAT (SWITZERLAND) GMBH (CH) 2017-03-15 — — EP disclosed
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