SCHEMBL10064554

SCHEMBL10064554

Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 3/20 0.47
▸ SUMO2 P61956 1/20 0.44
▸ SUMO1 P63165 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP2 Q9HC62 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ CASP6 P55212 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CYP1A2 P05177 3/20 0.40
▸ PRMT1 Q99873 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NSD2 O96028 1/20 0.37
▸ DUSP3 P51452 1/20 0.37
▸ PTPN5 P54829 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ ENPP2 Q13822 4/20 0.36

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
SCHEMBL9620091 0.80 NT5E (0.52) NT5ESUMO2SUMO1SENP7SENP2
SCHEMBL29429619 0.79 NT5E (0.68) NT5ESUMO2SUMO1SENP7SENP2
SCHEMBL30566330 0.79 NT5E (0.68) NT5ESUMO2SUMO1SENP7SENP2
SCHEMBL591403 0.79 NT5E (0.68) NT5ESUMO2SUMO1SENP7SENP2
SCHEMBL29610078 0.79 NT5E (0.68) NT5ESUMO2SUMO1SENP7SENP2
SCHEMBL2730688 0.79 NT5E (0.68) NT5ESUMO2SUMO1SENP7SENP2
SCHEMBL152377 0.79 NT5E (0.68) NT5ESUMO2SUMO1SENP7SENP2
SCHEMBL11426413 0.79 NT5E (0.68) NT5ESUMO2SUMO1SENP7SENP2
SCHEMBL31229304 0.79 NT5E (0.68) NT5ESUMO2SUMO1SENP7SENP2
SCHEMBL1755049 0.79 SUMO2 (0.59) NT5ESUMO2SUMO1SENP7SENP2

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-2441805-A1 Black disazo dyes, their preparation and their use ILFORD Imaging Switzerland GmbH (CH) 2012-04-18 — — EP disclosed
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