SCHEMBL22706197

SCHEMBL22706197

Cc1nc2ccccc2n1-c1cccc2c(-c3ccc4cc5ccccc5cc4c3)c3cccc(-n4c(C)nc5ccccc54)c3cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
GSR P00390 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HCAR1 Q9BXC0 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
MTOR P42345 1/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL22706772 0.96 TSHR (0.51) TSHRGSRMAPK1HTTHCAR1
SCHEMBL22706552 0.92 TSHR (0.49) TSHRGSRMAPK1HTTALDH1A1
SCHEMBL22705662 0.91 TSHR (0.48) TSHRGSRMAPK1HTTALDH1A1
SCHEMBL22707526 0.87 TSHR (0.47) TSHRGSRMAPK1HTTHCAR1
SCHEMBL22706597 0.87 GSR (0.43) GSRALDH1A1KDM4ETP53POLB
SCHEMBL22706171 0.86 TSHR (0.54) TSHRGSRMAPK1HTTHCAR1
SCHEMBL22706610 0.86 TSHR (0.56) TSHRGSRMAPK1HTTHCAR1
SCHEMBL22706711 0.86 TSHR (0.56) TSHRGSRMAPK1HTTHCAR1
SCHEMBL26343608 0.86 TSHR (0.50) TSHRGSRMAPK1HTTALDH1A1
SCHEMBL22708123 0.85 TSHR (0.52) TSHRGSRMAPK1HTTALDH1A1

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