SCHEMBL16720178

SCHEMBL16720178

Oc1ccc[c]c1-c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.44
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
NOTUM Q6P988 1/20 0.38
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
EGFR P00533 2/20 0.35
CA12 O43570 1/20 0.35
GMNN O75496 1/20 0.35
CA2 P00918 1/20 0.35
FYN P06241 1/20 0.35
POLB P06746 1/20 0.35
CA3 P07451 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL6607387 0.81 ALDH1A1 (0.46) MAPTLMNAKDM4ENPC1RAB9A
SCHEMBL16720499 0.79 CYP2A6 (0.48) MAPTLMNAKDM4ENPC1RAB9A
SCHEMBL9987990 0.79 ESR1 (0.42) MAPTLMNAKDM4ENPC1RAB9A
SCHEMBL16719718 0.78 ATM (0.39) MAPTLMNAKDM4ENPC1RAB9A
SCHEMBL16719811 0.78 QDPR (0.32) QDPRMAPTLMNAKDM4ENPC1
SCHEMBL9650164 0.76 NPC1 (0.35) MAPTLMNAKDM4ENPC1RAB9A
SCHEMBL7852621 0.76 MAPT (0.39) MAPTLMNANOTUMKDM4ENPC1
SCHEMBL9988099 0.76 TRPA1 (0.37) MAPTLMNAKDM4ENPC1RAB9A
SCHEMBL7855064 0.76 LMNA (0.39) MAPTLMNANOTUMKDM4ENPC1
SCHEMBL16720201 0.76 ALOX5 (0.45) MAPTLMNAKDM4ENPC1RAB9A

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