SCHEMBL22706171

SCHEMBL22706171

Cc1nc2ccccc2n1-c1cccc2c(-c3ccc(-c4ccccc4)cc3)c3cccc(-n4c(C)nc5ccccc54)c3cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 3/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
GSR P00390 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
GLA P06280 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38

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
SCHEMBL22706711 0.97 TSHR (0.56) TSHRMAPK1HTTALDH1A1L3MBTL1
SCHEMBL22705757 0.96 TSHR (0.55) TSHRMAPK1HTTALDH1A1L3MBTL1
SCHEMBL22708123 0.94 TSHR (0.52) TSHRMAPK1HTTALDH1A1L3MBTL1
SCHEMBL22706552 0.93 TSHR (0.49) TSHRMAPK1HTTALDH1A1L3MBTL1
SCHEMBL22705662 0.92 TSHR (0.48) TSHRMAPK1HTTALDH1A1L3MBTL1
SCHEMBL22705647 0.88 TSHR (0.47) TSHRMAPK1HTTALDH1A1L3MBTL1
SCHEMBL22708120 0.88 ESR1 (0.47) TSHRALDH1A1LMNAPOLBKDM4E
SCHEMBL22707354 0.88 TSHR (0.51) TSHRMAPK1HTTALDH1A1L3MBTL1
SCHEMBL22706118 0.88 TSHR (0.51) TSHRMAPK1HTTALDH1A1L3MBTL1
SCHEMBL22706796 0.88 TSHR (0.51) TSHRMAPK1HTTALDH1A1L3MBTL1

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