SCHEMBL14134398

SCHEMBL14134398

CCCOCCNc1nc(F)nc(Nc2ccc(N=Nc3cc4ccccc4cc3S(=O)(=O)O)c(NC(N)=O)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 3/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA3 P07451 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36

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
SCHEMBL13881094 0.81 CA12 (0.33) KCNH3CA12CA1CA2CA3
SCHEMBL13881099 0.79 CA1 (0.39) KCNH3CA12CA1CA2CA3
SCHEMBL13604272 0.78 KCNH3 (0.33) KCNH3CA12CA1CA2CA3
SCHEMBL13604277 0.78 KCNH3 (0.31) KCNH3
SCHEMBL8601012 0.76 FUT8 (0.42) KCNH3CA12CA1CA2CA5A
SCHEMBL8601003 0.76 FUT8 (0.42) KCNH3CA12CA1CA2CA5A
SCHEMBL13881076 0.75 CD40 (0.43) CA12CA1CA2CA3CA4
SCHEMBL20314644 0.74 FUT8 (0.42) CA12CA1CA2CA5ACA9
SCHEMBL12172935 0.74 FUT8 (0.44) CA12CA1CA2CA9
SCHEMBL6747124 0.74 FUT8 (0.35) KCNH3CA12CA1CA2CA3

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 3 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-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
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