SCHEMBL22797160

SCHEMBL22797160

O=C1c2ccccc2CCc2ccc(-c3cccc4ccccc34)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CES1 P23141 1/20 0.50
EDNRB P24530 1/20 0.50
EDNRA P25101 1/20 0.50
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MCL1 Q07820 3/20 0.44
ACMSD Q8TDX5 1/20 0.44
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAOA P21397 1/20 0.42

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
SCHEMBL10045891 0.97 EDNRB (0.52) TDP1L3MBTL1CES1EDNRBEDNRA
SCHEMBL22797580 0.94 EDNRB (0.48) TDP1L3MBTL1CES1EDNRBEDNRA
SCHEMBL10045892 0.81 L3MBTL1 (0.49) TDP1L3MBTL1CES1EDNRBEDNRA
SCHEMBL10045663 0.81 TDP1 (0.42) TDP1L3MBTL1CES1EDNRBEDNRA
SCHEMBL21880031 0.80 EDNRB (0.57) L3MBTL1EDNRBEDNRALMNAMAPT
SCHEMBL22799463 0.80 EDNRB (0.57) L3MBTL1EDNRBEDNRALMNAMAPT
SCHEMBL30819040 0.80 EDNRB (0.57) TDP1L3MBTL1EDNRBEDNRAALDH1A1
SCHEMBL10685447 0.80 MCL1 (0.47) EDNRBEDNRAMCL1ACMSDCA12
SCHEMBL1820911 0.80 EDNRB (0.57) TDP1L3MBTL1EDNRBEDNRAALDH1A1
SCHEMBL4264669 0.80 EDNRB (0.57) TDP1L3MBTL1EDNRBEDNRAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020248943-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2020-12-17 WO disclosed