SCHEMBL20208701

SCHEMBL20208701

c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c6c7c(cc54)Oc4ccccc4N7c4ccccc4O6)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL20208706 0.97 KDM4E (0.40) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL22812439 0.93 KDM4E (0.41) KDM4EATML3MBTL1ALDH1A1
SCHEMBL22812410 0.90 KDM4E (0.38) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL20208963 0.90 KDM4E (0.40) KDM4EATML3MBTL1ALDH1A1
SCHEMBL22812473 0.89 KDM4E (0.41) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL20209192 0.89 KDM4E (0.41) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL20208702 0.88 KDM4E (0.35) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL20208707 0.88 KDM4E (0.37) KDM4EATML3MBTL1ALDH1A1
SCHEMBL20208735 0.87 ATM (0.33) KDM4EATML3MBTL1ALDH1A1
SCHEMBL22812390 0.87 TSPO (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