SCHEMBL22705686

SCHEMBL22705686

Cc1nc2ccccc2n1-c1cccc2c(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc(-n4c(C)nc5ccccc54)c3cc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
GSR P00390 2/20 0.35
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
LMNA P02545 2/20 0.34
FLT3 P36888 1/20 0.34
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
VCP P55072 1/20 0.31
GLA P06280 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HCAR1 Q9BXC0 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
SCHEMBL22706677 0.94 TSHR (0.41) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22705777 0.91 ESR1 (0.37) HTTGSRALDH1A1LMNAFLT3
SCHEMBL22706472 0.87 TSHR (0.43) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22705676 0.87 TSHR (0.43) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22706780 0.87 TSHR (0.43) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22706681 0.85 ESR1 (0.37) HTTGSRALDH1A1LMNAMAPT
SCHEMBL22705779 0.83 TSHR (0.43) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22707689 0.83 TSHR (0.47) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22705813 0.82 TSHR (0.46) TSHRMAPK1HTTGSRALDH1A1
SCHEMBL22707736 0.82 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