SCHEMBL6697880

SCHEMBL6697880

Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)O)cc3)c(N)c12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.60
▸ PHLPP2 Q6ZVD8 2/20 0.51
▸ SUMO2 P61956 1/20 0.50
▸ SUMO1 P63165 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP2 Q9HC62 1/20 0.50
▸ ENPP2 Q13822 8/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP1A2 P05177 3/20 0.44
▸ PRMT1 Q99873 1/20 0.40
▸ CA2 P00918 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ NT5E P21589 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ DNASE1L3 Q13609 1/20 0.37

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
SCHEMBL13069904 0.91 THRB (0.62) THRBPHLPP2SUMO2SUMO1SENP7
SCHEMBL7977352 0.91 THRB (0.62) THRBPHLPP2SUMO2SUMO1SENP7
SCHEMBL31122162 0.89 THRB (0.75) THRBPHLPP2SUMO2SUMO1SENP7
SCHEMBL1755507 0.89 THRB (0.75) THRBPHLPP2SUMO2SUMO1SENP7
SCHEMBL12955080 0.89 THRB (0.75) THRBPHLPP2SUMO2SUMO1SENP7
SCHEMBL2304017 0.88 THRB (0.74) THRBPHLPP2SUMO2SUMO1SENP7
SCHEMBL21221487 0.88 THRB (0.74) THRBPHLPP2SUMO2SUMO1SENP7
SCHEMBL14495135 0.88 THRB (0.68) THRBPHLPP2SUMO2SUMO1SENP7
SCHEMBL16551890 0.85 THRB (0.69) THRBPHLPP2SUMO2SUMO1SENP7
SCHEMBL25831277 0.85 THRB (0.69) THRBPHLPP2SUMO2SUMO1SENP7

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-20040111811-A1 Halogenated and sulfonated azodyes PROCTER & GAMBLE COMPANY, THE 2004-06-17 — — US disclosed
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