SCHEMBL16720185

SCHEMBL16720185

Cn1ccnc1-c1[c]cccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
LPO P22079 1/20 0.36
HDAC4 P56524 1/20 0.36
MC4R P32245 1/20 0.34
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
ALPL P05186 1/20 0.33
ALPG P10696 1/20 0.33
PDK1 Q15118 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL877718 0.73 BRD4 (0.53) BRD4MC4RKDM4EKMT2ACASP1
SCHEMBL1521829 0.71 BRD4 (0.44) BRD4LPOHDAC4KDM4EKMT2A
SCHEMBL16719473 0.70 CYP19A1 (0.38) KDM4EKMT2AHSD17B10L3MBTL1NPC1
SCHEMBL28357972 0.69 BRD4 (0.38) BRD4LPOHDAC4KDM4EKMT2A
SCHEMBL16720657 0.68 IDO1 (0.57) BRD4HTR2AHTR2C
SCHEMBL16720187 0.68 BRD4 (0.41) BRD4LPOHDAC4MC4RKDM4E
SCHEMBL308400 0.67 LPO (0.55) BRD4LPOHDAC4KDM4EKMT2A
SCHEMBL2874163 0.67 HDAC4 (0.40) BRD4LPOHDAC4KDM4EKMT2A
SCHEMBL16720807 0.66 KDM4E (0.46) KDM4EHSD17B10L3MBTL1NPC1PKM
Hydrochloric Acid SCHEMBL1806963 0.65 LPO (0.52) BRD4LPOHDAC4KDM4EKMT2A

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