SCHEMBL22705643

SCHEMBL22705643

Cc1nc2ccccc2n1-c1cccc2c(-c3cc(-c4ccccc4)cc4ccccc34)c3cccc(-n4c(C)nc5ccccc54)c3cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
GSR P00390 2/20 0.39
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 3/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PIK3R2 O00459 2/20 0.37
HCAR1 Q9BXC0 1/20 0.37
VCP P55072 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
FLT3 P36888 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
SCHEMBL22706577 0.91 TSHR (0.45) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22706184 0.91 TSHR (0.47) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22706448 0.90 ESR1 (0.41) GSRALDH1A1POLBKDM4ETP53
SCHEMBL22705785 0.87 TSHR (0.52) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22706601 0.87 TSHR (0.45) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22705647 0.87 TSHR (0.47) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22707372 0.86 TSHR (0.49) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22707354 0.86 TSHR (0.51) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22706796 0.86 TSHR (0.51) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22706711 0.86 TSHR (0.56) TSHRMAPK1HTTGSRALDH1A1

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