SCHEMBL16557866

SCHEMBL16557866

Nc1c(N=Nc2ccc(Nc3nc(F)nc(Nc4ccc(S(=O)(=O)CCOS(=O)(=O)O)cc4)n3)cc2)c(S(=O)(=O)O)cc2cccc(O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.50
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ FUT8 Q9BYC5 1/20 0.38
▸ ENPP2 Q13822 7/20 0.37
▸ CA2 P00918 4/20 0.36
▸ CA3 P07451 3/20 0.36
▸ CA12 O43570 3/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA4 P22748 3/20 0.36
▸ CA6 P23280 3/20 0.36
▸ CA7 P43166 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ CA14 Q9ULX7 3/20 0.36
▸ CA5A P35218 2/20 0.36
▸ CA13 Q8N1Q1 2/20 0.35
▸ SUMO2 P61956 1/20 0.34
▸ SUMO1 P63165 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP2 Q9HC62 1/20 0.34
▸ PRMT1 Q99873 2/20 0.33

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
SCHEMBL16557843 0.95 THRB (0.45) THRBPHLPP2FUT8ENPP2CA2
SCHEMBL16557841 0.93 THRB (0.48) THRBPHLPP2FUT8ENPP2CA2
SCHEMBL16557863 0.88 THRB (0.59) THRBPHLPP2ENPP2CA2CA3
SCHEMBL16557869 0.88 FUT8 (0.44) THRBPHLPP2FUT8ENPP2CA2
SCHEMBL17928436 0.87 ENPP2 (0.43) THRBPHLPP2FUT8ENPP2CA2
SCHEMBL16557867 0.86 ENPP2 (0.45) PHLPP2FUT8ENPP2CA2CA12
SCHEMBL14388839 0.86 THRB (0.56) THRBPHLPP2FUT8ENPP2CA2
SCHEMBL16557850 0.86 THRB (0.41) THRBFUT8ENPP2CA2CA3
SCHEMBL16557840 0.85 FUT8 (0.43) PHLPP2FUT8ENPP2CA2CA12
SCHEMBL16560657 0.83 FUT8 (0.44) THRBFUT8ENPP2CA2CA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394445-B2 Method for continuously preparing water-soluble azo dye by coupling a nebulizer with a pipeline DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2016-07-19 — — US disclosed
US-20150073132-A1 METHOD FOR CONTINUOUSLY PREPARING WATER-SOLUBLE AZO DYE BY COUPLING A NEBULIZER WITH A PIPELINE DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2015-03-12 — — US disclosed
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