SCHEMBL881759

SCHEMBL881759

C=CS(=O)(=O)CCCC(=O)Nc1ccc(S(=O)(=O)O)c(/N=N/c2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(Nc4nc(F)nc(N(CC)c5cccc(S(=O)(=O)C=C)c5)n4)c3c2O)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.44
▸ ENPP2 Q13822 3/20 0.35
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ DNASE1L3 Q13609 1/20 0.31
▸ PRMT1 Q99873 2/20 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
SCHEMBL18801694 1.00 FUT8 (0.44) FUT8ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL14134395 0.94 FUT8 (0.36) FUT8PRMT1
SCHEMBL15363308 0.91 FUT8 (0.48) FUT8ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL25592677 0.89 FUT8 (0.49) FUT8ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL881774 0.89 FUT8 (0.52) FUT8ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL18801530 0.89 FUT8 (0.52) FUT8ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL20008529 0.88 FUT8 (0.46) FUT8ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL24019210 0.85 FUT8 (0.53) FUT8ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL18232553 0.82 FUT8 (0.45) FUT8ENPP2CYP1A2CYP2C9MAPK1
SCHEMBL14134315 0.82 FUT8 (0.42) FUT8ENPP2PRMT1

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 5 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
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-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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