SCHEMBL20208974

SCHEMBL20208974

c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6c7c8c(cc65)Oc5ccccc5N8c5ccccc5O7)nc5ccccc45)ccc32)cc1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PTGER4 P35408 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
SCHEMBL20208711 0.95 ALDH1A1 (0.33) KDM4EL3MBTL1
SCHEMBL20208709 0.95 ALDH1A1 (0.33) KDM4EL3MBTL1
SCHEMBL22812481 0.89 ALDH1A1 (0.37) KDM4EATML3MBTL1
SCHEMBL20208797 0.89 ALDH1A1 (0.39) KDM4EATML3MBTL1
SCHEMBL20208977 0.88 CHEK2 (0.30)
SCHEMBL22812410 0.85 KDM4E (0.38) KDM4EATML3MBTL1
SCHEMBL20208723 0.84 ALDH1A1 (0.34) KDM4EATML3MBTL1PTGER4
SCHEMBL20208636 0.83 ALDH1A1 (0.38) KDM4EATML3MBTL1
SCHEMBL19035958 0.83 ALDH1A1 (0.37) KDM4EATML3MBTL1
SCHEMBL20208969 0.83

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