SCHEMBL21711022

SCHEMBL21711022

Brc1ccc2c(c1)c1c3c4ccccc4n(-c4ccccc4)c3ccc1n2-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ATM Q13315 1/20 0.55
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
ALDH1A1 P00352 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TSPO P30536 2/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
BRCA1 P38398 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LIG1 P18858 1/20 0.37
CA9 Q16790 1/20 0.36
MAPK8 P45983 2/20 0.36
IL1R1 P14778 1/20 0.36
MAPK1 P28482 1/20 0.35
PGR P06401 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
SCHEMBL21699360 0.89 L3MBTL1 (0.48) L3MBTL1KDM4EATMJAK2JAK3
SCHEMBL26756274 0.89 L3MBTL1 (0.48) L3MBTL1KDM4EATMJAK2JAK3
SCHEMBL30032326 0.88 L3MBTL1 (0.67) L3MBTL1KDM4EATMALDH1A1RXFP1
SCHEMBL261514 0.88 L3MBTL1 (0.67) L3MBTL1KDM4EATMALDH1A1RXFP1
SCHEMBL28129746 0.88 L3MBTL1 (0.67) L3MBTL1KDM4EATMALDH1A1RXFP1
SCHEMBL29993566 0.88 L3MBTL1 (0.67) L3MBTL1KDM4EATMALDH1A1RXFP1
SCHEMBL795985 0.86 L3MBTL1 (0.46) L3MBTL1KDM4EATMJAK2JAK3
SCHEMBL29546492 0.86 L3MBTL1 (0.46) L3MBTL1KDM4EATMJAK2JAK3
SCHEMBL181466 0.86 L3MBTL1 (0.56) L3MBTL1KDM4EATMJAK2JAK3
SCHEMBL29362953 0.86 L3MBTL1 (0.56) L3MBTL1KDM4EATMJAK2JAK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020032719-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DIODE USING SAME 주식회사 엘지화학 2020-02-13 WO disclosed