SCHEMBL14983602

SCHEMBL14983602

NC(=O)c1cccc(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(/N=N/c4cc(Nc5nc(Cl)nc(Nc6ccc(S(=O)(=O)CCOS(=O)(=O)O)cc6)n5)c(S(=O)(=O)O)cc4S(=O)(=O)O)c(O)c3c2N)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.48
▸ THRB P10828 1/20 0.46
▸ ENPP2 Q13822 8/20 0.38
▸ CHAT P28329 3/20 0.36
▸ USP2 O75604 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ CARM1 Q86X55 1/20 0.35
▸ PRMT1 Q99873 1/20 0.35
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ CA2 P00918 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ PHLPP2 Q6ZVD8 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
SCHEMBL16389049 0.95 FUT8 (0.47) FUT8THRBENPP2CHATUSP2
SCHEMBL14388939 0.83 THRB (0.55) FUT8THRBENPP2CHATUSP2
SCHEMBL14514299 0.82 FUT8 (0.54) FUT8THRBENPP2CHATUSP2
SCHEMBL13880619 0.82 THRB (0.53) FUT8THRBENPP2CARM1PRMT1
SCHEMBL18801522 0.82 THRB (0.47) FUT8THRBENPP2CHATCARM1
SCHEMBL16624649 0.82 FUT8 (0.52) FUT8THRBENPP2CHATUSP2
SCHEMBL16664577 0.81 FUT8 (0.51) FUT8THRBENPP2CHATUSP2
SCHEMBL16557841 0.80 THRB (0.48) FUT8THRBENPP2CHATUSP2
SCHEMBL16624647 0.80 FUT8 (0.54) FUT8THRBENPP2CHATUSP2
SCHEMBL16626832 0.79 FUT8 (0.55) FUT8THRBENPP2CHATUSP2

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-8864850-B2 Mixtures of reactive dyes and their use HUNTSMAN INTERNATIONAL LLC (US) 2014-10-21 — — US disclosed
US-20130133142-A1 Mixtures of Reactive Dyes and Their Use HUNTSMAN INTERNATIONAL LLC (US) 2013-05-30 — — US disclosed
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