SCHEMBL881777

SCHEMBL881777

C=CS(=O)(=O)c1cccc(N(CC)c2nc(Cl)nc(Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(N=Nc5ccc6cc(S(=O)(=O)C=C)ccc6c5S(=O)(=O)O)c(O)c34)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.52
▸ PRMT1 Q99873 3/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ DNASE1L3 Q13609 1/20 0.37
▸ ENPP2 Q13822 6/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ PHLPP2 Q6ZVD8 2/20 0.34
▸ CARM1 Q86X55 1/20 0.33
▸ THRB P10828 2/20 0.32
▸ CD40 P25942 1/20 0.32
▸ CD40LG P29965 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HIF1A Q16665 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
SCHEMBL20008109 1.00 FUT8 (0.52) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL12646578 0.90 FUT8 (0.57) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL12974316 0.90 FUT8 (0.57) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL24019200 0.89 FUT8 (0.55) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL22861908 0.89 FUT8 (0.55) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL14022709 0.89 FUT8 (0.58) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL12172963 0.89 FUT8 (0.58) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL25592677 0.85 FUT8 (0.49) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL19754269 0.84 FUT8 (0.47) FUT8PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL8628445 0.83 FUT8 (0.71) FUT8PRMT1CYP1A2CYP2C9MAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536791-B1 MIXTURES OF FIBRE-REACTIVE DYES AND THEIR USE IN A METHOD FOR DI- OR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MAT (SWITZERLAND) GMBH (CH) 2017-05-03 — — EP disclosed
WO-2016180641-A1 MIXTURES OF REACTIVE DYES AND THEIR USE FOR THE DYEING OR PRINTING OF TEXTILE FIBRE MATERIALS HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2016-11-17 — — WO disclosed
US-8911509-B2 Mixtures of fibre-reactive dyes and their use in a method for di- or trichromatic dyeing or printing HUNTSMAN INTERNATIONAL LLC (US) 2014-12-16 — — US disclosed
US-20130283546-A1 Mixtures of Fibre-Reactive Dyes and Their Use in a Method for Trichromatic Dyeing or Printing HUNTSMAN INTERNATIONAL LLC (US) 2013-10-31 — — US disclosed
US-20120302486-A1 Mixtures of Fibre-Reactive Dyes and Their Use in a Method for Di- or Trichromatic Dyeing or Printing HUNTSMAN INTERNATIONAL LLC (US) 2012-11-29 — — US disclosed
WO-2011101185-A9 MIXTURES OF FIBRE-REACTIVE DYES AND THEIR USE IN A METHOD FOR DI- OR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2012-03-29 — — WO disclosed
WO-2011101185-A1 MIXTURES OF FIBRE-REACTIVE DYES AND THEIR USE IN A METHOD FOR DI- OR TRICHROMATIC DYEING OR PRINTING HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2011-08-25 — — WO disclosed
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