SCHEMBL16720261

SCHEMBL16720261

Oc1c[c]ccc1-c1cscn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.35
KDM4A O75164 1/20 0.34
KDM4B O94953 1/20 0.34
KDM5C P41229 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ADORA2A P29274 1/20 0.34
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
METAP2 P50579 2/20 0.33
METAP1 P53582 2/20 0.33
F2RL1 P55085 1/20 0.32
KDM4E B2RXH2 3/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 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
SCHEMBL7855621 0.79 TSHR (0.36) KDM4AKDM4BKDM5CKDM5BPOLB
SCHEMBL7508479 0.79 CASP6 (0.35) CASP6KDM4AKDM4BKDM5CKDM5B
SCHEMBL16720103 0.79 CASP6 (0.33) CASP6KDM4AKDM4BKDM5CKDM5B
SCHEMBL16719786 0.76 NPC1 (0.38) POLBSMN1; SMN2METAP2METAP1KDM4E
SCHEMBL2789458 0.74 CYP19A1 (0.47) CASP6LMNASMN1; SMN2METAP2METAP1
SCHEMBL16720602 0.73 IDO1 (0.33) KDM4AKDM4BKDM5CKDM5BIDO1
SCHEMBL31718137 0.73 HTT (0.55) LMNAHSP90AA1HSP90AB1MAPK1HTT
SCHEMBL657801 0.73 HTT (0.55) LMNAHSP90AA1HSP90AB1MAPK1HTT
SCHEMBL16720292 0.71 SCN9A (0.34) SMN1; SMN2METAP2METAP1KDM4ENPC1
SCHEMBL16720809 0.70 KDM4E (0.45) CASP6LMNAHSP90AA1MAPK1HTT

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