SCHEMBL18832713

SCHEMBL18832713

Nc1c(N=Nc2ccc(S(=O)(=O)CCOS(=O)(=O)O)cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3cc(Nc4nc(F)nc(F)c4Cl)ccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.53
▸ ENPP2 Q13822 9/20 0.39
▸ FUT8 Q9BYC5 1/20 0.38
▸ CD40 P25942 1/20 0.34
▸ CD40LG P29965 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ PHLPP2 Q6ZVD8 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ PRMT1 Q99873 2/20 0.32
▸ CARM1 Q86X55 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
SCHEMBL13880589 1.00 THRB (0.53) THRBENPP2FUT8CD40CD40LG
SCHEMBL12053477 0.93 THRB (0.46) THRBENPP2FUT8
Lithium Ion SCHEMBL15544703 0.92 THRB (0.60) THRBENPP2FUT8CD40CD40LG
Lithium Ion SCHEMBL15544709 0.92 THRB (0.62) THRBENPP2FUT8CD40CD40LG
Lithium Ion SCHEMBL15544707 0.92 THRB (0.63) THRBENPP2FUT8CD40CD40LG
Lithium Ion SCHEMBL29886706 0.89 THRB (0.66) THRBENPP2FUT8CD40CD40LG
SCHEMBL14388839 0.89 THRB (0.56) THRBENPP2FUT8CD40CD40LG
SCHEMBL14388755 0.88 THRB (0.54) THRBENPP2FUT8CD40CD40LG
SCHEMBL14388939 0.87 THRB (0.55) THRBENPP2FUT8CD40CD40LG
SCHEMBL13880598 0.84 THRB (0.60) THRBENPP2FUT8CD40CD40LG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2877538-B1 HOME FABRIC DYE PRODUCT HENKEL AG & CO KGAA (DE) 2017-09-06 — — EP claimed
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