SCHEMBL3857441

SCHEMBL3857441

O=[N+]([O-])c1ccc2c(c1)Oc1cccc([N+](=O)[O-])c1O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 7/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 4/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 4/20 0.41
GPR35 Q9HC97 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
TXNRD1 Q16881 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
SCHEMBL15009561 0.85 AHR (0.47) MEN1KMT2AALDH1A1TSHRTDP1
SCHEMBL5798312 0.84 MEN1 (0.45) MEN1MAPTKMT2AHTTALDH1A1
SCHEMBL5798781 0.84 MEN1 (0.59) MEN1MAPTKMT2AHTTALDH1A1
SCHEMBL2390951 0.82 ALDH1A1 (0.52) MEN1MAPTKMT2AHTTALDH1A1
SCHEMBL5798976 0.80 HTT (0.47) MEN1MAPTKMT2AHTTALDH1A1
SCHEMBL5796814 0.80 HTT (0.47) MEN1MAPTKMT2AHTTALDH1A1
Ethane SCHEMBL28101016 0.80 TDP1 (0.52) MEN1MAPTKMT2AALDH1A1L3MBTL1
Dinitrophenylene SCHEMBL27786570 0.75 TSHR (0.71) MEN1MAPTKMT2AHTTALDH1A1
SCHEMBL9734064 0.72 MAPT (0.51) MEN1MAPTKMT2AHTTALDH1A1
Methanesulfonamide SCHEMBL8012477 0.71 CA2 (0.47) MEN1MAPTKMT2AHTTALDH1A1

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