SCHEMBL16389050

SCHEMBL16389050

CCN(c1cccc(S(=O)(=O)CCOS(=O)(=O)O)c1)c1nc(Cl)nc(Nc2ccc(S(=O)(=O)O)c(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5ccc(S(=O)(=O)CCOS(=O)(=O)O)cc5S(=O)(=O)O)c(N)c4c3O)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.44
▸ THRB P10828 1/20 0.40
▸ ENPP2 Q13822 5/20 0.35
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CHAT P28329 3/20 0.31
▸ ENPP3 O14638 1/20 0.31
▸ ENPP1 P22413 1/20 0.31
▸ CD40 P25942 1/20 0.30
▸ CD40LG P29965 1/20 0.30
▸ PHLPP2 Q6ZVD8 1/20 0.30
▸ USP2 O75604 1/20 0.30

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
SCHEMBL18801985 0.93 FUT8 (0.45) FUT8THRBENPP2CARM1PRMT1
SCHEMBL14149031 0.91 FUT8 (0.46) FUT8THRBENPP2CARM1PRMT1
SCHEMBL18801754 0.88 THRB (0.47) FUT8THRBENPP2CARM1PRMT1
SCHEMBL14514299 0.88 FUT8 (0.54) FUT8THRBENPP2CARM1PRMT1
SCHEMBL13483285 0.86 FUT8 (0.42) FUT8THRBENPP2CARM1PRMT1
SCHEMBL16624647 0.85 FUT8 (0.54) FUT8THRBENPP2CARM1PRMT1
SCHEMBL24019221 0.84 FUT8 (0.41) FUT8THRBENPP2CARM1PRMT1
SCHEMBL16664577 0.84 FUT8 (0.51) FUT8THRBENPP2CARM1PRMT1
SCHEMBL15363314 0.84 FUT8 (0.40) FUT8THRBENPP2PRMT1MEN1
SCHEMBL13880686 0.83 PRMT1 (0.49) FUT8ENPP2CARM1PRMT1MEN1

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-9371611-B2 Mixtures of reactive dyes and their use HUNTSMAN INTERNATIONAL LLC (US) 2016-06-21 — — US disclosed
US-20150000051-A1 Mixtures of Reactive Dyes and Their Use HUNTSMAN INT LLC (US) 2015-01-01 — — US disclosed
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