SCHEMBL16560656

SCHEMBL16560656

Nc1c(N=Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(S(=O)(=O)O)c4)n3)cc2S(=O)(=O)O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.59
▸ CHAT P28329 3/20 0.50
▸ ENPP3 O14638 1/20 0.50
▸ ENPP1 P22413 1/20 0.50
▸ ENPP2 Q13822 6/20 0.49
▸ CYP1A2 P05177 2/20 0.48
▸ PRMT1 Q99873 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ CYP2C9 P11712 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ DNASE1L3 Q13609 1/20 0.45
▸ USP2 O75604 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL16560663 0.95 FUT8 (0.64) FUT8CHATENPP3ENPP1ENPP2
SCHEMBL9343981 0.94 FUT8 (0.59) FUT8CHATENPP3ENPP1ENPP2
SCHEMBL16560655 0.92 FUT8 (0.49) FUT8CHATENPP3ENPP1ENPP2
SCHEMBL16560632 0.91 FUT8 (0.51) FUT8CHATENPP3ENPP1ENPP2
SCHEMBL9116929 0.87 FUT8 (0.59) FUT8CHATENPP3ENPP1ENPP2
SCHEMBL14038348 0.87 FUT8 (0.57) FUT8CHATENPP3ENPP1ENPP2
SCHEMBL16560654 0.87 FUT8 (0.53) FUT8CHATENPP2CYP1A2PRMT1
SCHEMBL13934364 0.86 FUT8 (0.62) FUT8CHATENPP3ENPP1ENPP2
SCHEMBL16560640 0.86 FUT8 (0.53) FUT8CHATENPP3ENPP1ENPP2
SCHEMBL17929009 0.85 ENPP2 (0.52) FUT8ENPP2CYP1A2PRMT1MEN1

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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