SCHEMBL16720191

SCHEMBL16720191

Cc1nc2c(-c3cccc(F)c3)[c]ccc2s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
MAPT P10636 3/20 0.37
HK1 P19367 1/20 0.37
HTT P42858 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
JAK2 O60674 1/20 0.36
TRPM8 Q7Z2W7 5/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 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
SCHEMBL16720555 0.84 LMNA (0.40) MGAMGAASIMGAM2
SCHEMBL16720507 0.83 ALOX5 (0.40) ADORA3MAPTHK1HTTHKDC1
SCHEMBL4527701 0.77 CYP2A6 (0.39) KDM4EGAA
SCHEMBL4527458 0.76 KDM4E (0.36) KDM4EMAPTMEN1KMT2A
SCHEMBL28015705 0.73 KDM4E (0.38) KDM4EADORA3MGAMGAASI
SCHEMBL16720456 0.73 BRD4 (0.40) MEN1KMT2A
SCHEMBL2165945 0.69 KDM4E (0.38) KDM4EADORA3MGAMGAASI
SCHEMBL2091081 0.69 NPC1 (0.42) KDM4EGAAMAPTHTTMEN1
SCHEMBL6826494 0.69 MAP4K4 (0.39) KDM4EADORA3MAPTMEN1KMT2A
SCHEMBL2012944 0.68 MGAM (0.42) MGAMGAASIMGAM2

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