SCHEMBL22958735

SCHEMBL22958735

c1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)Oc4cccc6c4N5c4ccccc4O6)c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
HDAC4 P56524 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
DNM1 Q05193 1/20 0.30
P2RX4 Q99571 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL22958791 0.98 KDM4E (0.37) EDNRBEDNRAL3MBTL1KDM4EATM
SCHEMBL22958752 0.97 EDNRB (0.36) EDNRBEDNRAL3MBTL1KDM4EATM
SCHEMBL22958671 0.92 L3MBTL1 (0.38) EDNRBEDNRAL3MBTL1KDM4EATM
SCHEMBL22958719 0.90 L3MBTL1 (0.39) EDNRBEDNRAL3MBTL1KDM4EATM
SCHEMBL22958727 0.90 L3MBTL1 (0.42) EDNRBEDNRAL3MBTL1KDM4EATM
SCHEMBL22958711 0.90 KDM4E (0.40) EDNRBEDNRAL3MBTL1KDM4EATM
SCHEMBL19035949 0.90 KDM4E (0.41) EDNRBEDNRAL3MBTL1KDM4EATM
SCHEMBL20114105 0.89 ATM (0.37) EDNRBEDNRAL3MBTL1KDM4EATM
SCHEMBL20114095 0.89 ATM (0.37) EDNRBEDNRAL3MBTL1KDM4EATM
SCHEMBL20114798 0.89 L3MBTL1 (0.40) EDNRBEDNRAL3MBTL1KDM4EATM

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