SCHEMBL16720187

SCHEMBL16720187

Cn1ccnc1-c1cc[c]cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
MC4R P32245 1/20 0.37
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC4 P56524 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
LPO P22079 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
MEN1 O00255 1/20 0.32
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HCRTR1 O43613 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
SCHEMBL8672845 0.79 BRD4 (0.40) BRD4MC4RKDM4ENPC1PKM
SCHEMBL877718 0.76 BRD4 (0.53) BRD4MC4RKDM4EKMT2AADRA1D
SCHEMBL3949265 0.72 TSHR (0.44) BRD4MC4RKDM4ENPC1PKM
SCHEMBL208711 0.72 HDAC4 (0.43) BRD4KDM4EKMT2ANPC1PKM
SCHEMBL2874163 0.70 HDAC4 (0.40) BRD4KDM4EKMT2ANPC1PKM
SCHEMBL16719475 0.68 KDM1A (0.36) ADRA1AL3MBTL1
SCHEMBL16720809 0.68 KDM4E (0.45) BRD4KDM4ENPC1PKMRAB9A
SCHEMBL16720185 0.68 BRD4 (0.38) BRD4MC4RKDM4EKMT2ANPC1
SCHEMBL16720659 0.68 IDO1 (0.61) HTR2ACYP2D6
SCHEMBL308400 0.67 LPO (0.55) BRD4KDM4EKMT2ANPC1PKM

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