SCHEMBL22065071

SCHEMBL22065071

c1ccc(-c2cc(-c3ccccn3)nc(-c3ccccc3-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRM5 P41594 7/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
METAP1 P53582 6/20 0.36
MAPT P10636 2/20 0.35
PPP1CA P62136 2/20 0.35
RAB9A P51151 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DHODH Q02127 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL22065091 0.96 KDM4E (0.42) MAPK1HSD17B10GRM5L3MBTL1KDM4E
SCHEMBL22065080 0.92 HSD17B10 (0.47) TSHRMAPK1HSD17B10GRM5L3MBTL1
SCHEMBL22064960 0.92 TSHR (0.42) TSHRMAPK1HSD17B10GRM5L3MBTL1
SCHEMBL22064958 0.92 TSHR (0.42) TSHRMAPK1HSD17B10GRM5L3MBTL1
SCHEMBL17897543 0.91 L3MBTL1 (0.46) TSHRMAPK1HSD17B10L3MBTL1KDM4E
SCHEMBL17897547 0.88 L3MBTL1 (0.45) TSHRMAPK1HSD17B10L3MBTL1KDM4E
SCHEMBL22065514 0.87 L3MBTL1 (0.42) TSHRMAPK1HSD17B10GRM5L3MBTL1
SCHEMBL22065918 0.86 KDM4E (0.43) TSHRMAPK1HSD17B10L3MBTL1KDM4E
SCHEMBL22596246 0.86 KDM4E (0.41) GRM5L3MBTL1KDM4EATMMAPT
SCHEMBL22066215 0.85 METAP1 (0.38) MAPK1HSD17B10KDM4EMETAP1MAPT

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-20200185616-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE SAME LG DISPLAY CO., LTD (KR) 2020-06-11 US disclosed