SCHEMBL22705779

SCHEMBL22705779

Cc1nc2ccccc2n1-c1cccc2c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c3cccc(-n4c(C)nc5ccccc54)c3cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
GSR P00390 2/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
FLT3 P36888 1/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HCAR1 Q9BXC0 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL22706780 0.94 TSHR (0.43) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22707617 0.90 ESR1 (0.37) GSRALDH1A1LMNAFLT3HSD17B10
SCHEMBL22706677 0.89 TSHR (0.41) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL26343708 0.87 TSHR (0.44) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22707631 0.86 TSHR (0.46) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22705665 0.86 TSHR (0.46) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22706732 0.84 ESR1 (0.37) GSRALDH1A1LMNAFLT3HSD17B10
SCHEMBL22705686 0.83 TSHR (0.41) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL26344912 0.82 HTT (0.39) TSHRMAPK1HTTALDH1A1LMNA
SCHEMBL26343707 0.82 MAPK1 (0.45) TSHRMAPK1HTTALDH1A1FLT3

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