SCHEMBL22705804

SCHEMBL22705804

Cc1nc2ccccc2n1-c1cccc2c(-c3cc4ccccc4c4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc(-n4c(C)nc5ccccc54)c3cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
GSR P00390 2/20 0.38
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HCAR1 Q9BXC0 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HSD17B10 Q99714 2/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL22706967 0.89 ESR1 (0.37) GSRHTTALDH1A1LMNAPOLB
SCHEMBL22707689 0.89 TSHR (0.47) TSHRGSRMAPK1HTTHCAR1
SCHEMBL22705813 0.88 TSHR (0.46) TSHRGSRMAPK1HTTHCAR1
SCHEMBL22705701 0.87 TSHR (0.42) TSHRGSRMAPK1HTTHCAR1
SCHEMBL22707429 0.87 TSHR (0.43) TSHRGSRMAPK1HTTHCAR1
SCHEMBL22706841 0.85 TSHR (0.40) TSHRGSRMAPK1HTTHCAR1
SCHEMBL22707345 0.85 TSHR (0.42) TSHRGSRMAPK1HTTHCAR1
SCHEMBL22706103 0.85 TSHR (0.42) TSHRGSRMAPK1HTTHCAR1
SCHEMBL22705785 0.83 TSHR (0.52) TSHRGSRMAPK1HTTHCAR1
SCHEMBL22706610 0.81 TSHR (0.56) TSHRGSRMAPK1HTTHCAR1

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
US-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 US disclosed