SCHEMBL16720186

SCHEMBL16720186

Oc1c[c]c(-c2ccc3cc[nH]c3c2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.47
AHR P35869 3/20 0.44
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
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
RAD51 Q06609 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ESR1 P03372 2/20 0.36
ESR2 Q92731 1/20 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

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
SCHEMBL16719814 0.83 TYR (0.47) TYRAHRFFAR4APPENPP2
SCHEMBL16720143 0.74 MEN1 (0.51) TYRAHRAPPENPP2ESR1
SCHEMBL16720591 0.71 TYR (0.47) TYRAHRAPPENPP2CMA1
SCHEMBL16720188 0.71 AHR (0.44) TYRAHRGPR84FFAR4HSD17B1
SCHEMBL1225643 0.71 TYR (0.70) TYRAHRENPP2CMA1USP2
SCHEMBL16720494 0.71 TYR (0.46) TYRAHRENPP2CMA1USP2
SCHEMBL16720508 0.70 HSD17B1 (0.47) HSD17B1HSD17B2ESR1ESR2ALDH1A1
Bromide SCHEMBL27298210 0.70 TYR (0.68) TYRAHRFFAR4ENPP2CMA1
SCHEMBL16720654 0.70 ESR1 (0.37) HSD17B1HSD17B2ESR1ESR2KDM4E
Hydrochloric Acid SCHEMBL27297304 0.70 TYR (0.68) TYRAHRENPP2CMA1USP2

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