SCHEMBL20208635

SCHEMBL20208635

c1ccc(-c2ccc3c(c2)Oc2cc4c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5n(-c5ccccc5)c4c4c2N3c2ccc(-c3ccccc3)cc2O4)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSPO P30536 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
HDAC4 P56524 1/20 0.30
KMT2A Q03164 1/20 0.30
IL1R1 P14778 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
SCHEMBL22812406 0.97 L3MBTL1 (0.38) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL22812402 0.94 KDM4E (0.34) KDM4EATML3MBTL1TSPO
SCHEMBL20209193 0.92 EDNRB (0.33) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL20209175 0.89 KDM4E (0.35) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL20209183 0.88 KDM4E (0.43) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL22958706 0.87 L3MBTL1 (0.40) KDM4EATML3MBTL1TSPOEDNRB
SCHEMBL20209176 0.86 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL15470142 0.85 L3MBTL1 (0.45) KDM4EATML3MBTL1TSPOEDNRB
SCHEMBL22958792 0.85 L3MBTL1 (0.45) KDM4EATML3MBTL1TSPOEDNRB
SCHEMBL20208967 0.85 ATM (0.34) KDM4EATML3MBTL1EDNRBEDNRA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544986-B1 BRIDGED TRIARYLAMINES FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-12-23 EP disclosed
WO-2018095839-A1 BRIDGED TRIARYLAMINES FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-05-31 WO disclosed