SCHEMBL22958711

SCHEMBL22958711

c1ccc2c(c1)Oc1cccc3c1N2c1ccc(-n2c4ccccc4c4ccccc42)cc1O3

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
P2RX4 Q99571 4/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL22958775 0.97 KDM4E (0.42) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL22958735 0.90 EDNRB (0.37) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL22958719 0.89 L3MBTL1 (0.39) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL19035949 0.89 KDM4E (0.41) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL20152311 0.88 KDM4E (0.35) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL22958791 0.87 KDM4E (0.37) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL22958752 0.87 EDNRB (0.36) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL17915786 0.86 KDM4E (0.38) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL19035995 0.86 KDM4E (0.43) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL20208724 0.86 KDM4E (0.33) KDM4EATML3MBTL1ALDH1A1

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-20210043852-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-11 US disclosed