SCHEMBL20208724

SCHEMBL20208724

c1ccc2c(c1)Oc1cccc3c1N2c1cc2c4ccccc4n(-c4ccc5c6ccccc6c6ccccc6c5c4)c2cc1O3

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
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
SCHEMBL22958711 0.86 KDM4E (0.40) KDM4EATML3MBTL1ALDH1A1
SCHEMBL20209199 0.86 ATM (0.38) KDM4EATML3MBTL1ALDH1A1
SCHEMBL20208726 0.84 KDM4E (0.41) KDM4EATML3MBTL1ALDH1A1
SCHEMBL17915786 0.84 KDM4E (0.38) KDM4EATML3MBTL1ALDH1A1
SCHEMBL22958775 0.83 KDM4E (0.42) KDM4EATML3MBTL1ALDH1A1
SCHEMBL22958735 0.82 EDNRB (0.37) KDM4EATML3MBTL1ALDH1A1
SCHEMBL20114246 0.81 L3MBTL1 (0.35) KDM4EATML3MBTL1
SCHEMBL17915756 0.81 KDM4E (0.36) KDM4EATML3MBTL1ALDH1A1
SCHEMBL22958791 0.80 KDM4E (0.37) KDM4EATML3MBTL1
SCHEMBL21324546 0.80 KDM4E (0.44) 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 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