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SCHEMBL16624652

SCHEMBL16624652

O=S(=O)(O)OCCS(=O)(=O)c1cc(Nc2nc(Cl)nc(Nc3ccc4c(O)c(/N=N/c5ccc6c(S(=O)(=O)O)cccc6c5S(=O)(=O)O)c(S(=O)(=O)O)cc4c3S(=O)(=O)O)n2)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.43
▸ ENPP2 Q13822 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP1A2 P05177 3/20 0.33
▸ PHLPP2 Q6ZVD8 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ CARM1 Q86X55 1/20 0.31
▸ PRMT1 Q99873 1/20 0.31
▸ CYP2C9 P11712 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ DNASE1L3 Q13609 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
SCHEMBL16624655 0.93 FUT8 (0.43) FUT8ENPP2MEN1THRBKMT2A
SCHEMBL16624656 0.92 FUT8 (0.52) FUT8ENPP2MEN1THRBKMT2A
SCHEMBL16624650 0.91 FUT8 (0.44) FUT8ENPP2MEN1THRBKMT2A
SCHEMBL16624642 0.91 FUT8 (0.51) FUT8ENPP2MEN1THRBKMT2A
SCHEMBL16624643 0.90 FUT8 (0.58) FUT8ENPP2MEN1THRBKMT2A
SCHEMBL16624653 0.87 FUT8 (0.41) FUT8ENPP2PHLPP2CARM1PRMT1
SCHEMBL8974386 0.86 FUT8 (0.48) FUT8ENPP2MEN1THRBKMT2A
SCHEMBL14565547 0.83 FUT8 (0.50) FUT8ENPP2MEN1THRBKMT2A
SCHEMBL13880626 0.83 FUT8 (0.50) FUT8ENPP2MEN1THRBKMT2A
SCHEMBL13138839 0.82 FUT8 (0.65) FUT8ENPP2MEN1THRBKMT2A

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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