SCHEMBL16720484

SCHEMBL16720484

COc1c[c]c(-c2cscn2)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
ECE1 P42892 1/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 1/20 0.33
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTPN1 P18031 1/20 0.32
MAPK1 P28482 1/20 0.31
ADORA2A P29274 1/20 0.31
NPC1 O15118 1/20 0.31
KDM4A O75164 1/20 0.31
KDM4B O94953 1/20 0.31
KDM5C P41229 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
SCHEMBL16719446 0.71 METAP2 (0.33) LMNAHSP90AA1HSP90AB1HTTMAPK1
SCHEMBL16720441 0.71 POLB (0.34) POLBECE1NPC1MET
SCHEMBL16720127 0.71 COMT (0.40) KDM4ELMNACYP3A4MEN1MAPT
SCHEMBL16719913 0.68 ECE1 (0.39) POLBECE1KDM4ELMNACYP3A4
SCHEMBL16720142 0.67 BACE1 (0.46) POLBKDM4ELMNACYP3A4HTT
SCHEMBL16720259 0.67 KDM4E (0.34) POLBKDM4ELMNACYP3A4HSP90AA1
SCHEMBL16719291 0.67 POLB (0.41) POLBECE1NPC1KDM4AKDM4B
SCHEMBL16056542 0.66 CYP3A4 (0.48) KDM4ELMNACYP3A4MEN1MAPT
SCHEMBL16720486 0.66 KDM4E (0.42) POLBECE1KDM4ELMNANPSR1
SCHEMBL28243375 0.65 POLB (0.45) POLBECE1KDM4ELMNANPSR1

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