SCHEMBL16720132

SCHEMBL16720132

Oc1c[c]ccc1-c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALOX15 P16050 3/20 0.39
TP53 P04637 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
GPR35 Q9HC97 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL4209132 0.82 TAAR1 (0.40) ESR2HSD17B1HSD17B2MAPTTAAR1
SCHEMBL16719582 0.82 HSD17B1 (0.47) ESR2HSD17B1HSD17B2LMNA
SCHEMBL16719325 0.80 PTPN5 (0.47) MAPTALOX15ALOX12PTPN5
SCHEMBL16719523 0.79 HSD17B1 (0.40) ESR2HSD17B1HSD17B2
SCHEMBL2013350 0.79 TAAR1 (0.38) ESR2HSD17B1HSD17B2TAAR1MEN1
SCHEMBL16720374 0.79 CNR2 (0.51) MAPTALOX15ALOX12THRB
SCHEMBL16719911 0.79 ALOX5 (0.49) ESR2ALOX15ALOX12TAAR1FYN
SCHEMBL2012945 0.79 ACHE (0.39) ESR2MAPTSMN1; SMN2ALOX15TP53
SCHEMBL16720447 0.79 ESR2 (0.39) ESR2HSD17B1HSD17B2MAPTTAAR1
SCHEMBL27707563 0.79 TAAR1 (0.40) ESR2HSD17B1HSD17B2MAPTGPR35

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