SCHEMBL541086

SCHEMBL541086

NNC(=O)c1cccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.51
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
GFER P55789 1/20 0.50
BCAT2 O15382 1/20 0.50
CHRNB2 P17787 4/20 0.49
CHRNA4 P43681 4/20 0.49
CHRNB4 P30926 3/20 0.49
CHRNA3 P32297 3/20 0.49
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CTSD P07339 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
HTT P42858 3/20 0.44
KEAP1 Q14145 1/20 0.44
FABP3 P05413 1/20 0.44

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
SCHEMBL7677836 0.88 HNF4A (0.68) HNF4AGAAMAPTGFERBCAT2
SCHEMBL30345390 0.85 CHRNB2 (0.65) GAAMAPTGFERBCAT2CHRNB2
SCHEMBL1826396 0.85 CHRNB2 (0.65) GAAMAPTGFERBCAT2CHRNB2
Biphenyl SCHEMBL27596494 0.84 CHRNB2 (0.62) GAABCAT2CHRNB2CHRNA4CHRNB4
SCHEMBL7445832 0.83 HNF4A (0.51) HNF4AGAABCAT2CHRNB2CHRNA4
SCHEMBL8088437 0.83 HNF4A (0.51) HNF4AGAABCAT2CHRNB2CHRNA4
SCHEMBL28085560 0.83 HNF4A (0.51) HNF4AGAABCAT2CHRNB2CHRNA4
SCHEMBL998757 0.83 MAPT (0.50) HNF4AGAAMAPTGFERBCAT2
SCHEMBL30071869 0.83 MAPT (0.50) HNF4AGAAMAPTGFERBCAT2
SCHEMBL28147858 0.83 MAPT (0.54) HNF4AGAAMAPTGFERBCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2416627-B1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL & SUMIKIN CHEM CO (JP) 2019-01-02 EP disclosed
US-9299947-B2 Organic electroluminescent device having an electron- and /or exciton-blocking layer comprising an indolocarbazole compound NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2016-03-29 US disclosed
EP-2416627-A1 ORGANIC ELECTROLUMINESCENT DEVICE Nippon Steel Chemical Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120007070-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2012-01-12 US disclosed