SCHEMBL16720486

SCHEMBL16720486

COc1c[c]cc(O)c1-c1cscn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.41
ECE1 P42892 1/20 0.39
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
PDE10A Q9Y233 1/20 0.33
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPT P10636 3/20 0.33
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 4/20 0.32
GAA P10253 2/20 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
SCHEMBL16719448 0.76 LMNA (0.33) KDM4EPOLBLMNASMN1; SMN2MAPT
SCHEMBL16719786 0.71 NPC1 (0.38) KDM4EPOLBECE1CYP1A1CYP1A2
SCHEMBL28243375 0.69 POLB (0.45) KDM4EPOLBECE1CYP1A1CYP1A2
SCHEMBL26260070 0.69 CYP1A1 (0.45) KDM4EPOLBECE1CYP1A1CYP1A2
SCHEMBL2502094 0.66 CYP3A4 (0.44) KDM4ECYP1A2LMNASMN1; SMN2MAPT
SCHEMBL16720145 0.66 PDE4B (0.46) KDM4ELMNAMAPTALDH1A1MAPK1
SCHEMBL16719913 0.66 ECE1 (0.39) KDM4EPOLBECE1CYP1A1CYP1A2
SCHEMBL16720484 0.66 POLB (0.45) KDM4EPOLBECE1CYP1A1CYP1A2
SCHEMBL16720261 0.65 CASP6 (0.35) KDM4EPOLBCYP1A2LMNASMN1; SMN2
SCHEMBL1494184 0.64 KDM4E (0.40) KDM4EPOLBECE1CYP1A1CYP1A2

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