SCHEMBL16719752

SCHEMBL16719752

Oc1c[c]ccc1-c1ccc2[nH]ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
RAD51 Q06609 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GUSB P08236 5/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
DYRK1A Q13627 2/20 0.42
DYRK2 Q92630 2/20 0.42
DYRK1B Q9Y463 2/20 0.42
MAP3K11 Q16584 1/20 0.41
AR P10275 1/20 0.40
CLK1 P49759 1/20 0.40
PTGS2 P35354 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
IMPDH2 P12268 1/20 0.39

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
SCHEMBL16720495 0.88 TYR (0.46) USP2GAAALOX15RAD51NPSR1
SCHEMBL2192638 0.80 NPC1 (0.47) NPC1USP2GAAALOX15RAD51
SCHEMBL27500073 0.78 GUSB (0.68) NPC1USP2GAAALOX15RAD51
SCHEMBL16719957 0.77 TRPA1 (0.50) DYRK1ADYRK2DYRK1BARCLK1
SCHEMBL16720011 0.75 RIPK1 (0.55) DYRK1ADYRK1BCCNCCDK8
SCHEMBL732897 0.75 NPC1 (0.67) NPC1USP2GAAALOX15RAD51
SCHEMBL16720439 0.74 QPCT (0.50) ARMAPT
SCHEMBL732779 0.73 NPC1 (0.64) NPC1USP2GAAALOX15RAD51
SCHEMBL15510713 0.73 NPC1 (0.46) NPC1USP2GAAALOX15RAD51
SCHEMBL12680421 0.72 NPC1 (0.67) NPC1USP2GAAALOX15RAD51

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