SCHEMBL20208726

SCHEMBL20208726

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)Oc4cccc5c4N6c4ccccc4O5)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EDNRA P25101 4/20 0.32
EDNRB P24530 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PTGER4 P35408 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
SCHEMBL22958722 0.93 L3MBTL1 (0.43) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL20209199 0.91 ATM (0.38) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL19035949 0.91 KDM4E (0.41) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL22958792 0.91 L3MBTL1 (0.45) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL20208730 0.90 KDM4E (0.33) KDM4EATML3MBTL1PTGER4
SCHEMBL19035960 0.90 L3MBTL1 (0.42) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL19035980 0.90 L3MBTL1 (0.42) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL22958756 0.90 L3MBTL1 (0.42) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL19035941 0.90 L3MBTL1 (0.44) KDM4EATML3MBTL1EDNRAEDNRB
SCHEMBL12333547 0.90 L3MBTL1 (0.44) KDM4EATML3MBTL1EDNRAEDNRB

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