SCHEMBL16720143

SCHEMBL16720143

COc1c[c]c(-c2ccc3cc[nH]c3c2)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
TYR P14679 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.41
GHSR Q92847 2/20 0.40
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
ESR1 P03372 1/20 0.38
MAOA P21397 2/20 0.38
APP P05067 3/20 0.37
MAPT P10636 3/20 0.37
AHR P35869 1/20 0.37
BRD4 O60885 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL16720186 0.74 TYR (0.47) MEN1POLBMAPK1KMT2ATYR
SCHEMBL16719814 0.74 TYR (0.47) MEN1POLBMAPK1KMT2ATYR
SCHEMBL16719527 0.74 MEN1 (0.44) MEN1POLBMAPK1KMT2ATYR
SCHEMBL16719421 0.74 MAPK1 (0.51) MEN1POLBMAPK1KMT2AL3MBTL1
SCHEMBL30620465 0.74 MEN1 (0.73) MEN1POLBMAPK1KMT2AL3MBTL1
SCHEMBL1224829 0.74 MEN1 (0.73) MEN1POLBMAPK1KMT2AL3MBTL1
SCHEMBL16720494 0.73 TYR (0.46) MEN1POLBMAPK1KMT2ATYR
SCHEMBL16720488 0.73 ABL1 (0.41) MAPK1ESR1MAOAABL1ABCB1
SCHEMBL30620464 0.72 MEN1 (0.66) MEN1POLBMAPK1KMT2ATYR
SCHEMBL16720142 0.72 BACE1 (0.46) MEN1POLBMAPK1KMT2AL3MBTL1

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
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed