SCHEMBL22707689

SCHEMBL22707689

Cc1nc2ccccc2n1-c1cccc2c(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)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 0.40
HTT P42858 1/20 0.40
GSR P00390 2/20 0.39
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HCAR1 Q9BXC0 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL22706472 0.94 TSHR (0.43) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22705701 0.92 TSHR (0.42) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22707736 0.92 TSHR (0.42) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22705813 0.90 TSHR (0.46) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22705665 0.90 TSHR (0.46) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22705804 0.89 TSHR (0.43) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22706841 0.88 TSHR (0.40) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22705808 0.88 ESR1 (0.40) TSHRHTTGSRALDH1A1LMNA
SCHEMBL22707429 0.87 TSHR (0.43) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22707702 0.86 TSHR (0.43) 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