SCHEMBL3849254

SCHEMBL3849254

c1ccc(Nc2ccc3c(c2)Oc2cccc(Nc4ccccc4)c2O3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MAPT P10636 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
AR P10275 1/20 0.44
TDP1 Q9NUW8 4/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 3/20 0.41
RECQL P46063 2/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 5/20 0.39
TSHR P16473 4/20 0.39
ALOX15 P16050 3/20 0.39
ALOX12 P18054 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
MAPK1 P28482 1/20 0.39
PTGS2 P35354 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL28048760 0.89 MEN1 (0.50) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL22825075 0.85 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL2389452 0.83 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL23281217 0.83 AKR1C3 (0.44) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL23281215 0.80 AHR (0.52) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL23168485 0.79 AKR1C3 (0.40) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL23281155 0.77 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL18570306 0.77 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL23281222 0.77 AHR (0.37) AHR
SCHEMBL18563345 0.73 PDK2 (0.37) MAPTMEN1KMT2AKDM4ELMNA

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