SCHEMBL16720197

SCHEMBL16720197

COc1[c]cccc1-c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
SQOR Q9Y6N5 1/20 0.36
TLR8 Q9NR97 2/20 0.36
DYRK1A Q13627 2/20 0.36
TLR7 Q9NYK1 1/20 0.36
ERN1 O75460 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
IKBKB O14920 1/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL3535486 0.83 ALDH1A1 (0.39) SMN1; SMN2RAB9ATP53NPC1GAA
SCHEMBL7953803 0.81 MKNK1 (0.46) SMN1; SMN2RAB9ANPC1CYP11B1CYP11B2
SCHEMBL9151380 0.80 ACHE (0.35) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL1646811 0.80 ABL1 (0.50) SMN1; SMN2RAB9ATP53NPC1CLK4
SCHEMBL16686010 0.79 DYRK1A (0.47) DYRK1ACLK4DYRK1B
SCHEMBL17514813 0.79 SLC6A4 (0.42) SQOR
SCHEMBL28140406 0.79 ABL1 (0.49) GAA
SCHEMBL6985969 0.79 SLC6A4 (0.42) RAB9ANPC1SQORDYRK1AMAPT
SCHEMBL1490970 0.79 SLC6A3 (0.41) SMN1; SMN2RAB9ATP53NPC1MAPT
SCHEMBL16720564 0.78 NOTUM (0.39) SMN1; SMN2MAPTNOTUMCYP11B1CYP11B2

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