SCHEMBL16720262

SCHEMBL16720262

O=CNc1cc(-c2cc[c]cc2O)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.45
SYK P43405 1/20 0.32
HDAC1 Q13547 3/20 0.31
KDM4E B2RXH2 1/20 0.31
APOBEC3A P31941 1/20 0.31
GFER P55789 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
HDAC2 Q92769 1/20 0.31
ADRB2 P07550 3/20 0.30
ADRB1 P08588 2/20 0.30
DRD2 P14416 2/20 0.30
ERN1 O75460 1/20 0.30
PGR P06401 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
PTGS2 P35354 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL16720282 0.87 KDM5A (0.33) KDM5AKDM4E
SCHEMBL16720023 0.84 ACLY (0.39) ERN1PGR
SCHEMBL15515553 0.80 KDM5A (0.36) KDM5A
SCHEMBL16720177 0.80 ALDH1A1 (0.37) HDAC1HDAC2
SCHEMBL16719776 0.78 ALDH1A1 (0.37) KDM5AHDAC1
SCHEMBL675191 0.76 KDM5A (0.44) KDM5ATSHR
SCHEMBL16719468 0.75 KDM5A (0.32) KDM5A
SCHEMBL16719585 0.73 KDM5A (0.31) KDM5A
SCHEMBL16719824 0.71 ESR2 (0.43) KDM4ECYP3A4CYP2D6CYP2C19
SCHEMBL6054762 0.71 HSD17B1 (0.43) KDM4ECYP1A2CYP3A4CYP2D6MAPK1

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