SCHEMBL21190859

SCHEMBL21190859

OCc1ccc(Oc2ccc(F)cc2)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.50
EPAS1 Q99814 1/20 0.47
NR3C1 P04150 7/20 0.46
LTA4H P09960 1/20 0.42
PTGER4 P35408 1/20 0.41
PTGER2 P43116 1/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL21190850 0.87 NR3C1 (0.46) EPAS1NR3C1PTGER4PTGER2PKM
SCHEMBL14656214 0.85 TTR (0.51) TTRNR3C1LTA4HPTGER4PTGER2
SCHEMBL21191130 0.83 TTR (0.53) TTREPAS1NR3C1LTA4HMEN1
SCHEMBL21191014 0.83 TTR (0.72) TTRNR3C1LTA4H
SCHEMBL27689753 0.82 PKM (0.47) EPAS1PKM
SCHEMBL15068243 0.82 EPAS1 (0.52) TTREPAS1NR3C1PKMMEN1
SCHEMBL21190858 0.81 SLC6A4 (0.41) EPAS1NR3C1PTGER4PTGER2CARM1
SCHEMBL10889454 0.81 CYP4F2 (0.53) TTRLTA4HPTGER4PTGER2NPC1
SCHEMBL21190854 0.79 BRD4 (0.50) EPAS1NR3C1
SCHEMBL12239036 0.79 ST14 (0.50) NR3C1PKMMEN1KMT2A

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
WO-2019141131-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2019-07-25 WO disclosed
US-9359548-B2 Organic electroluminescent device UDC IRELAND LIMITED (IE) 2016-06-07 US disclosed