SCHEMBL16720188

SCHEMBL16720188

Oc1c[c]cc(F)c1-c1ccc2cc[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.44
TYR P14679 1/20 0.44
BRD4 O60885 1/20 0.42
GPR84 Q9NQS5 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
APP P05067 1/20 0.39
ENPP2 Q13822 2/20 0.37
CMA1 P23946 1/20 0.37
ESR1 P03372 3/20 0.36
ESR2 Q92731 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATM Q13315 1/20 0.36
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
DYRK1B Q9Y463 1/20 0.34

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
SCHEMBL16719816 0.83 AHR (0.44) AHRTYRBRD4FFAR4APP
SCHEMBL16720146 0.80 MEN1 (0.44) TYRBRD4APPATMMEN1
SCHEMBL16720495 0.74 TYR (0.46) AHRTYRBRD4ENPP2CMA1
SCHEMBL16720186 0.71 TYR (0.47) AHRTYRBRD4GPR84FFAR4
SCHEMBL16720509 0.69 HSD17B1 (0.50) HSD17B1HSD17B2ESR1ESR2
SCHEMBL16720158 0.69 ESR2 (0.46) HSD17B1HSD17B2ESR2MAPK1
SCHEMBL1401662 0.69 GPR84 (0.69) AHRTYRGPR84ENPP2CMA1
SCHEMBL147946 0.68 AHR (0.70) AHRTYRBRD4GPR84FFAR4
SCHEMBL1225643 0.68 TYR (0.70) AHRTYRBRD4ENPP2CMA1
SCHEMBL16720655 0.68 BACE1 (0.37) HSD17B1HSD17B2ALDH1A1HPGDHSD17B10

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