SCHEMBL16720102

SCHEMBL16720102

OCc1ccc[c]c1-c1cscn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 2/20 0.32
METAP2 P50579 2/20 0.32
METAP1 P53582 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
FKBP1A P62942 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM4A O75164 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
SCHEMBL16720259 0.79 KDM4E (0.34) MAPTKDM4EMETAP2METAP1NPC1
SCHEMBL16719785 0.72 ECE1 (0.37) MAPTKDM4EMETAP2METAP1NPC1
SCHEMBL16719950 0.70 PRKCI (0.40) MAPTHSD17B10MAPK1KCNH2
SCHEMBL16720601 0.70 IDO1 (0.33) KDM4EMETAP2METAP1NPC1TP53
SCHEMBL16720290 0.70 SCN9A (0.36) KDM4EMETAP2METAP1NPC1TP53
SCHEMBL16720103 0.69 CASP6 (0.33) KDM4AKDM4BKDM5CKDM5BCASP6
SCHEMBL7698397 0.67 PDCD1 (0.44) MAPTNPSR1KDM4ETSHRHSD17B10
SCHEMBL999087 0.66 METAP1 (0.40) MAPTNPSR1KDM4EMETAP2METAP1
SCHEMBL6607926 0.66 METAP1 (0.39) KDM4EMETAP2METAP1NPC1TP53
SCHEMBL9044447 0.66 IDO1 (0.36) KDM4EMETAP2METAP1NPC1TP53

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