SCHEMBL16720177

SCHEMBL16720177

O=CNc1ccc(-c2cc[c]cc2O)cc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL16719776 0.82 ALDH1A1 (0.37) ALDH1A1HDAC1
SCHEMBL16719468 0.82 KDM5A (0.32) ALDH1A1
SCHEMBL16720262 0.80 KDM5A (0.45) HDAC1HDAC2
SCHEMBL16719585 0.80 KDM5A (0.31)
SCHEMBL16720282 0.77 KDM5A (0.33) ALDH1A1LMNA
SCHEMBL16719854 0.77 ABL1 (0.34) ALDH1A1
SCHEMBL5941013 0.75 ALDH1A1 (0.48) ALDH1A1LMNAHDAC1HDAC2
SCHEMBL16719637 0.75 ESR1 (0.42) ALDH1A1LMNA
SCHEMBL16720023 0.74 ACLY (0.39) ALDH1A1
SCHEMBL9988102 0.72 BACE1 (0.38) ALDH1A1

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