SCHEMBL3854692

SCHEMBL3854692

c1ccc(N(c2ccc3c(c2)Oc2cccc(N(c4ccccc4)c4cccc5ccccc45)c2O3)c2cccc3ccccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.34
AHR P35869 3/20 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
SCHEMBL12259300 0.91 SIGMAR1 (0.39) SIGMAR1AHR
SCHEMBL2389599 0.91 SIGMAR1 (0.39) SIGMAR1AHR
SCHEMBL16787079 0.91 SIGMAR1 (0.39) SIGMAR1AHR
SCHEMBL3845307 0.89 AHR (0.31) AHR
SCHEMBL24277545 0.88 SIGMAR1 (0.36) SIGMAR1AHR
SCHEMBL24277572 0.88 SIGMAR1 (0.36) SIGMAR1AHR
SCHEMBL18563220 0.86 SIGMAR1 (0.33) SIGMAR1AHR
SCHEMBL16787104 0.86 AHR (0.35) SIGMAR1AHR
SCHEMBL24277426 0.84 SIGMAR1 (0.33) SIGMAR1
SCHEMBL16787258 0.83 SIGMAR1 (0.36) SIGMAR1AHR

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-7605277-B2 N,N'-Di(1-naphthyl)-N,N'-diphenyl-2,6-diaminodibenzodioxin; organic electroelement hole-transporting layer, light-emitting material, a host materialor dopant in the light-emitting layer,a hole-blocking layer, an electron-transporting layer;high luminous efficiency; high heat resistance; durability NIPPON STEEL CHEMICAL CO., LTD. (JP) 2009-10-20 US disclosed
US-20070129555-A1 Aminodibenzodioxin derivative and organic electroluminescent using the same NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2007-06-07 US disclosed