SCHEMBL14134065

SCHEMBL14134065

CCN(c1ccccc1)c1nc(C)nc(Nc2cccc(N=Nc3c(S(=O)(=O)O)cc4ccc(N=Nc5ccccc5)c(N)c4c3O)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 10/20 0.46
▸ FUT8 Q9BYC5 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ PRMT3 O60678 1/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ PRMT1 Q99873 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PHLPP2 Q6ZVD8 3/20 0.35
▸ CD40 P25942 1/20 0.33
▸ CD40LG P29965 1/20 0.33

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
SCHEMBL14981561 0.89 ENPP2 (0.54) ENPP2FUT8CYP1A2PRMT3EP300
SCHEMBL13481857 0.84 ENPP2 (0.48) ENPP2FUT8CYP1A2PRMT3EP300
SCHEMBL16387115 0.83 ENPP2 (0.51) ENPP2FUT8CYP1A2PRMT3EP300
SCHEMBL15362418 0.81 FUT8 (0.36) ENPP2FUT8PRMT1
SCHEMBL13481841 0.81 ENPP2 (0.44) ENPP2FUT8CYP1A2PRMT3EP300
SCHEMBL15362423 0.79 FUT8 (0.35) ENPP2FUT8PRMT1
SCHEMBL15362414 0.79 FUT8 (0.36) ENPP2FUT8PRMT1
SCHEMBL15362427 0.79 ENPP2 (0.34) ENPP2FUT8
SCHEMBL12172946 0.78 ENPP2 (0.51) ENPP2FUT8CYP1A2PRMT3EP300
SCHEMBL14981568 0.78 FUT8 (0.36) ENPP2FUT8PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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