SCHEMBL16557843

SCHEMBL16557843

Nc1c(N=Nc2ccc(Nc3nc(F)nc(Nc4cccc(S(=O)(=O)CCOS(=O)(=O)O)c4)n3)cc2)c(S(=O)(=O)O)cc2cccc(O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.45
▸ FUT8 Q9BYC5 1/20 0.37
▸ PHLPP2 Q6ZVD8 2/20 0.35
▸ ENPP2 Q13822 6/20 0.35
▸ CHAT P28329 2/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ CA12 O43570 3/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ CA4 P22748 3/20 0.33
▸ CA6 P23280 3/20 0.33
▸ CA7 P43166 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ CA14 Q9ULX7 3/20 0.33
▸ CA3 P07451 2/20 0.33
▸ CA5A P35218 2/20 0.33
▸ CA13 Q8N1Q1 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ SUMO2 P61956 1/20 0.31

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
SCHEMBL16557866 0.95 THRB (0.50) THRBFUT8PHLPP2ENPP2CA12
SCHEMBL16557869 0.93 FUT8 (0.44) THRBFUT8PHLPP2ENPP2CHAT
SCHEMBL16557840 0.90 FUT8 (0.43) FUT8PHLPP2ENPP2CHATENPP3
SCHEMBL16557841 0.88 THRB (0.48) THRBFUT8PHLPP2ENPP2CHAT
SCHEMBL16557867 0.86 ENPP2 (0.45) FUT8PHLPP2ENPP2CA12CA1
SCHEMBL17928436 0.85 ENPP2 (0.43) THRBFUT8PHLPP2ENPP2CA12
SCHEMBL16557863 0.83 THRB (0.59) THRBPHLPP2ENPP2CA2CA3
SCHEMBL14388839 0.83 THRB (0.56) THRBFUT8PHLPP2ENPP2CA2
SCHEMBL16557834 0.82 THRB (0.49) THRBPHLPP2ENPP2CA12CA1
SCHEMBL16557864 0.82 FUT8 (0.52) FUT8PHLPP2ENPP2CHATENPP3

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
Send feedback