SCHEMBL16664577

SCHEMBL16664577

Nc1c(/N=N/c2ccc(S(=O)(=O)O)cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(Nc4nc(Cl)nc(Nc5cccc(S(=O)(=O)CCOS(=O)(=O)O)c5)n4)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.51
▸ THRB P10828 1/20 0.48
▸ ENPP2 Q13822 7/20 0.41
▸ CHAT P28329 3/20 0.41
▸ ENPP3 O14638 1/20 0.39
▸ ENPP1 P22413 1/20 0.39
▸ PRMT1 Q99873 2/20 0.39
▸ CARM1 Q86X55 1/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ CD40 P25942 1/20 0.37
▸ CD40LG P29965 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C9 P11712 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ DNASE1L3 Q13609 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
SCHEMBL14388939 0.93 THRB (0.55) FUT8THRBENPP2CHATPRMT1
SCHEMBL13340562 0.90 THRB (0.43) FUT8THRBENPP2CHATENPP3
SCHEMBL14514299 0.89 FUT8 (0.54) FUT8THRBENPP2CHATENPP3
SCHEMBL16624649 0.89 FUT8 (0.52) FUT8THRBENPP2CHATENPP3
SCHEMBL18801754 0.89 THRB (0.47) FUT8THRBENPP2CHATENPP3
SCHEMBL16551891 0.89 FUT8 (0.48) FUT8THRBENPP2CHATENPP3
SCHEMBL16626832 0.87 FUT8 (0.55) FUT8THRBENPP2CHATENPP3
SCHEMBL13934364 0.87 FUT8 (0.62) FUT8ENPP2CHATENPP3ENPP1
SCHEMBL16557869 0.86 FUT8 (0.44) FUT8THRBENPP2CHATENPP3
SCHEMBL14388839 0.86 THRB (0.56) FUT8THRBENPP2PRMT1CARM1

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
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
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