SCHEMBL22706184

SCHEMBL22706184

Cc1nc2ccccc2n1-c1cccc2c(-c3cc(-c4ccccc4)c4ccccc4c3)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 5/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
FLT3 P36888 1/20 0.38
HCAR1 Q9BXC0 1/20 0.37
RAB9A P51151 1/20 0.36
PIK3R2 O00459 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
MPI P34949 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
SCHEMBL22706601 0.91 TSHR (0.45) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22705643 0.91 TSHR (0.47) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22706185 0.90 ESR1 (0.41) GSRALDH1A1LMNAKDM4EMAPT
SCHEMBL22706711 0.88 TSHR (0.56) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22705757 0.87 TSHR (0.55) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22706577 0.87 TSHR (0.45) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22707372 0.86 TSHR (0.49) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22706428 0.86 TSHR (0.51) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22705652 0.86 TSHR (0.51) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22706171 0.86 TSHR (0.54) 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