SCHEMBL16719976

SCHEMBL16719976

Oc1c[c]ccc1-c1cccc2cc[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.40
KEAP1 Q14145 1/20 0.39
PDPK1 O15530 1/20 0.38
NR3C1 P04150 13/20 0.36
REN P00797 2/20 0.35
PGR P06401 5/20 0.34
NR3C2 P08235 3/20 0.34
AR P10275 3/20 0.34
BACE1 P56817 1/20 0.34
BCHE P06276 1/20 0.33

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
SCHEMBL27487512 0.80 AHR (0.47) AHRKEAP1PDPK1NR3C1REN
SCHEMBL31492457 0.77 AHR (0.60) AHRKEAP1PDPK1NR3C1REN
SCHEMBL16720815 0.76 NOS1 (0.42)
SCHEMBL16719560 0.75 PIK3CD (0.44) AHR
SCHEMBL6251056 0.75 AHR (0.46) AHRKEAP1PDPK1NR3C1REN
SCHEMBL6669373 0.73 CYP1A2 (0.45)
SCHEMBL16719974 0.72 AHR (0.40) AHRKEAP1PDPK1NR3C1REN
SCHEMBL2373481 0.72 ALDH1A1 (0.44)
SCHEMBL16720156 0.70 BCAT1 (0.33) BCHE
SCHEMBL109665 0.69 AHR (0.56) AHRKEAP1PDPK1NR3C1PGR

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