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SCHEMBL16624650

SCHEMBL16624650

O=S(=O)(O)OCCS(=O)(=O)c1ccc(/N=N/c2c(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(Nc4nc(Cl)nc(Nc5cc(S(=O)(=O)CCOS(=O)(=O)O)cc(S(=O)(=O)O)c5O)n4)ccc3c2O)c(S(=O)(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.44
▸ CD40 P25942 1/20 0.36
▸ CD40LG P29965 1/20 0.36
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ ENPP2 Q13822 3/20 0.32
▸ THRB P10828 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ PHLPP2 Q6ZVD8 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
SCHEMBL16624656 0.94 FUT8 (0.52) FUT8CD40CD40LGCARM1PRMT1
SCHEMBL16624653 0.93 FUT8 (0.41) FUT8CD40CD40LGCARM1PRMT1
SCHEMBL16624652 0.91 FUT8 (0.43) FUT8CARM1PRMT1ENPP2THRB
SCHEMBL16624655 0.91 FUT8 (0.43) FUT8CARM1PRMT1ENPP2THRB
SCHEMBL14388768 0.83 FUT8 (0.38) FUT8CD40CD40LGCARM1PRMT1
SCHEMBL16624642 0.82 FUT8 (0.51) FUT8CD40CD40LGCARM1PRMT1
SCHEMBL12965814 0.81 CD40 (0.39) FUT8CD40CD40LGCARM1PRMT1
SCHEMBL16624643 0.80 FUT8 (0.58) FUT8CD40CD40LGPRMT1ENPP2
SCHEMBL16624647 0.80 FUT8 (0.54) FUT8CD40CD40LGCARM1PRMT1
SCHEMBL16624648 0.80 FUT8 (0.58) FUT8PRMT1ENPP2THRBMEN1

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-9193870-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2015-11-24 — — US disclosed
US-9193870-B2 Fibre-reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2015-11-24 — — US disclosed
US-20150096131-A1 Fibre-Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2015-04-09 — — US disclosed
US-20150096131-A1 Fibre-Reactive Dyes, Their Preparation and Their Use HUNTSMAN INTERNATIONAL LLC 2015-04-09 — — US disclosed
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