SCHEMBL541087

SCHEMBL541087

NNC(=O)c1ccccc1-c1ccccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.56
CHRNB4 P30926 3/20 0.56
CHRNA3 P32297 3/20 0.56
CHRNA4 P43681 3/20 0.56
BCAT2 O15382 1/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 3/20 0.49
MAPT P10636 2/20 0.49
GFER P55789 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL30345390 0.92 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4BCAT2
SCHEMBL1826396 0.92 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4BCAT2
Biphenyl SCHEMBL27596494 0.91 CHRNB2 (0.62) CHRNB2CHRNB4CHRNA3CHRNA4BCAT2
SCHEMBL5482184 0.89 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4BCAT2
SCHEMBL4779761 0.88 CTSD (0.57) CHRNB2CHRNB4CHRNA3CHRNA4GAA
SCHEMBL7677836 0.84 HNF4A (0.68) CHRNB2CHRNB4CHRNA3CHRNA4BCAT2
SCHEMBL12922045 0.83 HDAC7 (0.60) CHRNB2CHRNB4CHRNA3CHRNA4BCAT2
SCHEMBL998757 0.82 MAPT (0.50) CHRNB2CHRNB4CHRNA3CHRNA4BCAT2
SCHEMBL541086 0.82 HNF4A (0.51) CHRNB2CHRNB4CHRNA3CHRNA4BCAT2
SCHEMBL30071869 0.82 MAPT (0.50) CHRNB2CHRNB4CHRNA3CHRNA4BCAT2

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