SCHEMBL14983600

SCHEMBL14983600

Nc1c(/N=N/c2ccc(NC(=O)C(Br)CBr)cc2S(=O)(=O)O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(Nc4nc(Cl)nc(Nc5ccc(S(=O)(=O)CCOS(=O)(=O)O)cc5)n4)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.46
▸ THRB P10828 1/20 0.42
▸ CD40 P25942 1/20 0.35
▸ CD40LG P29965 1/20 0.35
▸ CHAT P28329 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ ENPP2 Q13822 8/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ ENPP3 O14638 1/20 0.31
▸ ENPP1 P22413 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP1A2 P05177 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
SCHEMBL14983601 0.98 FUT8 (0.47) FUT8THRBCD40CD40LGCHAT
SCHEMBL14514299 0.90 FUT8 (0.54) FUT8THRBCD40CD40LGCHAT
SCHEMBL14346805 0.85 FUT8 (0.49) FUT8THRBCD40CD40LGCHAT
SCHEMBL14388939 0.85 THRB (0.55) FUT8THRBCD40CD40LGCHAT
SCHEMBL16624647 0.84 FUT8 (0.54) FUT8THRBCD40CD40LGCHAT
SCHEMBL14388943 0.82 FUT8 (0.50) FUT8THRBCD40CD40LGCHAT
SCHEMBL14388914 0.82 FUT8 (0.50) FUT8THRBCD40CD40LGCHAT
SCHEMBL13069419 0.82 FUT8 (0.53) FUT8THRBCHATUSP2APEX1
SCHEMBL16560640 0.82 FUT8 (0.53) FUT8THRBCD40CD40LGCHAT
SCHEMBL16624649 0.82 FUT8 (0.52) FUT8THRBCD40CD40LGCHAT

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 4 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
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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