SCHEMBL16551891

SCHEMBL16551891

Nc1c(/N=N/c2cc(Nc3nc(Cl)nc(Nc4cccc(S(=O)(=O)CCOS(=O)(=O)O)c4)n3)ccc2S(=O)(=O)O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc4c(S(=O)(=O)O)cccc4c3S(=O)(=O)O)c(O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.48
▸ ENPP2 Q13822 4/20 0.45
▸ THRB P10828 3/20 0.39
▸ CHAT P28329 3/20 0.36
▸ ENPP3 O14638 1/20 0.36
▸ ENPP1 P22413 1/20 0.36
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ PHLPP2 Q6ZVD8 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ DNASE1L3 Q13609 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32

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
SCHEMBL14388914 0.96 FUT8 (0.50) FUT8ENPP2THRBCHATENPP3
SCHEMBL14388943 0.96 FUT8 (0.50) FUT8ENPP2THRBCHATENPP3
SCHEMBL12377648 0.89 FUT8 (0.40) FUT8ENPP2THRBCHATENPP3
SCHEMBL16664577 0.89 FUT8 (0.51) FUT8ENPP2THRBCHATENPP3
SCHEMBL13632939 0.88 ENPP2 (0.54) FUT8ENPP2THRBCARM1PRMT1
SCHEMBL13880675 0.88 FUT8 (0.60) FUT8ENPP2THRBCHATENPP3
SCHEMBL16552012 0.86 ENPP2 (0.52) FUT8ENPP2THRBCHATENPP3
SCHEMBL14514299 0.86 FUT8 (0.54) FUT8ENPP2THRBCHATENPP3
SCHEMBL13880626 0.85 FUT8 (0.50) FUT8ENPP2THRBCARM1PRMT1
SCHEMBL14565547 0.85 FUT8 (0.50) FUT8ENPP2THRBCARM1PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039083-B1 DYE MIXTURES OF METAL-FREE REACTIVE DYES, PRODUCTION AND USE DYSTAR COLOURS DISTRIB GMBH (DE) 2017-06-07 — — EP disclosed
EP-2862902-A1 Dye mixtures of metal free reactive dyes, production and use DyStar Colours Distribution GmbH (DE) 2015-04-22 — — EP disclosed
WO-2015028499-A1 DYE MIXTURES OF REACTIVE DYES, PRODUCTION AND USE DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-03-05 — — WO disclosed
Send feedback