SCHEMBL22707429

SCHEMBL22707429

Cc1nc2ccccc2n1-c1cccc2c(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3c3ccccc3c3ccccc43)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 0.36
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 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
RAB9A P51151 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
SCHEMBL22705813 0.93 TSHR (0.46) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22705676 0.90 TSHR (0.43) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22706131 0.89 ESR1 (0.37) HTTGSRALDH1A1LMNAPOLB
SCHEMBL22706841 0.88 TSHR (0.40) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22706103 0.88 TSHR (0.42) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22707600 0.88 TSHR (0.42) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22707689 0.87 TSHR (0.47) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22705804 0.87 TSHR (0.43) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22707631 0.86 TSHR (0.46) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22705701 0.84 TSHR (0.42) 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