SCHEMBL16720179

SCHEMBL16720179

Oc1c[c]ccc1-c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
RPS6KA3 P51812 1/20 0.34
ERN1 O75460 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
MAPK10 P53779 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOTUM Q6P988 1/20 0.33
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
EGFR P00533 1/20 0.33
CHUK O15111 1/20 0.33
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CDC7 O00311 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
SCHEMBL9958013 0.81 MAPT (0.43) MAPTLMNARPS6KA3NPC1RAB9A
SCHEMBL16720501 0.79 CYP2A6 (0.48) MAPTLMNAERN1NPC1RAB9A
SCHEMBL159940 0.79 ALDH1A1 (0.54) MAPTALDH1A1HSD17B10EGFRKDM4E
SCHEMBL16719637 0.79 ESR1 (0.42) MAPTLMNARPS6KA3NPC1RAB9A
SCHEMBL16719720 0.78 CYP17A1 (0.36) ERN1CCNCCDK8
SCHEMBL16719813 0.78
SCHEMBL9988102 0.76 BACE1 (0.38) RPS6KA3NPC1RAB9AALDH1A1HSD17B10
SCHEMBL6669375 0.76 PIK3CA (0.35) RPS6KA3NPC1RAB9AALDH1A1HSD17B10
SCHEMBL16720203 0.76 ALOX5 (0.41) MAPTLMNANPC1RAB9AHSD17B10
SCHEMBL27343606 0.76 MAPT (0.39) MAPTLMNANPC1RAB9AALDH1A1

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