SCHEMBL13538878

SCHEMBL13538878

Nc1c(/N=N/c2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2SOOO)c(SOOO)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(Nc4nc(Cl)nc(Nc5ccc(S(=O)(=O)CCOS(=O)(=O)O)cc5)n4)ccc3SOOO)c(O)c12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.44
▸ THRB P10828 1/20 0.40
▸ PRMT1 Q99873 2/20 0.32
▸ CARM1 Q86X55 1/20 0.32
▸ CHAT P28329 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ ENPP2 Q13822 3/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL12053499 0.94 FUT8 (0.44) FUT8THRBPRMT1CARM1CHAT
SCHEMBL12053489 0.89 THRB (0.46) FUT8THRBPRMT1CARM1CHAT
SCHEMBL12053476 0.87 THRB (0.46) FUT8THRBPRMT1CARM1CHAT
SCHEMBL13340562 0.86 THRB (0.43) FUT8THRBPRMT1CARM1CHAT
SCHEMBL12377648 0.85 FUT8 (0.40) FUT8THRBCHATENPP2
SCHEMBL12053492 0.85 FUT8 (0.44) FUT8THRBPRMT1CARM1CHAT
SCHEMBL14514299 0.84 FUT8 (0.54) FUT8THRBPRMT1CARM1CHAT
SCHEMBL13340552 0.83 THRB (0.47) FUT8THRBENPP2CYP1A2
SCHEMBL12053491 0.83 FUT8 (0.40) FUT8THRBPRMT1CARM1CHAT
SCHEMBL13340692 0.82 FUT8 (0.40) FUT8THRBPRMT1CARM1CHAT

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-7641724-B2 Suitable for dyeing or printing dyeing or printing cellulosic fibre and which yield dyeings fast to wet treatment and light; good build-up behaviour, yield dyeings of a deep shade having good fastness HUNTSMAN INTERNATIONAL LLC (US) 2010-01-05 — — US disclosed
US-20070124875-A1 Mixtures of reactive dyes and their use HUNTSMAN INTERNATIONAL LLC 2007-06-07 — — US disclosed
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