SCHEMBL16557869

SCHEMBL16557869

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ CHAT P28329 3/20 0.40
▸ ENPP3 O14638 1/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT1 Q99873 1/20 0.39
▸ CA9 Q16790 6/20 0.38
▸ CA12 O43570 5/20 0.38
▸ CA1 P00915 5/20 0.38
▸ CA2 P00918 5/20 0.38
▸ USP2 O75604 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ PHLPP2 Q6ZVD8 1/20 0.35
▸ ENPP2 Q13822 3/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34
▸ P2RY2 P41231 1/20 0.34
▸ P2RY4 P51582 1/20 0.34
▸ P2RY6 Q15077 1/20 0.34

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
SCHEMBL16557841 0.95 THRB (0.48) FUT8THRBCHATENPP3ENPP1
SCHEMBL16557843 0.93 THRB (0.45) FUT8THRBCHATENPP3ENPP1
SCHEMBL16557864 0.90 FUT8 (0.52) FUT8CHATENPP3ENPP1CARM1
SCHEMBL16557866 0.88 THRB (0.50) FUT8THRBCARM1PRMT1CA9
SCHEMBL16557852 0.86 FUT8 (0.41) FUT8THRBCHATENPP3ENPP1
SCHEMBL16664577 0.86 FUT8 (0.51) FUT8THRBCHATENPP3ENPP1
SCHEMBL16557837 0.86 FUT8 (0.53) FUT8CHATENPP3ENPP1CARM1
SCHEMBL16560632 0.85 FUT8 (0.51) FUT8THRBCHATENPP3ENPP1
SCHEMBL16557863 0.83 THRB (0.59) THRBCA2USP2PHLPP2ENPP2
SCHEMBL16557834 0.82 THRB (0.49) THRBCA9CA12CA1CA2

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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