SCHEMBL22958727

SCHEMBL22958727

c1ccc(-c2ccc3c(c2)Oc2cccc4c2N3c2ccc(-c3ccc(-n5c6ccccc6c6ccccc65)cc3)cc2O4)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
ATM Q13315 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HDAC4 P56524 1/20 0.37
EDNRA P25101 2/20 0.35
EDNRB P24530 1/20 0.35
KMT2A Q03164 3/20 0.32
IL1R1 P14778 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
HSP90AA1 P07900 2/20 0.31
FAAH O00519 1/20 0.31
PKM P14618 1/20 0.31
MGLL Q99685 1/20 0.31
AKR1C4 P17516 1/20 0.31
AKR1C3 P42330 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
SCHEMBL22958719 0.95 L3MBTL1 (0.39) L3MBTL1ATMKDM4EHDAC4EDNRA
SCHEMBL22958791 0.93 KDM4E (0.37) L3MBTL1ATMKDM4EHDAC4EDNRA
SCHEMBL22958792 0.91 L3MBTL1 (0.45) L3MBTL1ATMKDM4EHDAC4EDNRA
SCHEMBL25636733 0.91 L3MBTL1 (0.40) L3MBTL1ATMKDM4EHDAC4EDNRA
SCHEMBL22958735 0.90 EDNRB (0.37) L3MBTL1ATMKDM4EHDAC4EDNRA
SCHEMBL22958722 0.89 L3MBTL1 (0.43) L3MBTL1ATMKDM4EHDAC4EDNRA
SCHEMBL19035995 0.89 KDM4E (0.43) L3MBTL1ATMKDM4EHDAC4EDNRA
SCHEMBL22958706 0.88 L3MBTL1 (0.40) L3MBTL1ATMKDM4EHDAC4EDNRA
SCHEMBL20114798 0.88 L3MBTL1 (0.40) L3MBTL1ATMKDM4EHDAC4EDNRA
SCHEMBL22958694 0.88 CA12 (0.34) L3MBTL1ATMKDM4EHDAC4

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