SCHEMBL20208963

SCHEMBL20208963

c1ccc(-n2c3ccccc3c3cc4c5c6c7c(cc5n(-c5ccccc5)c4cc32)Oc2ccccc2N7c2ccccc2O6)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
BRCA1 P38398 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL22812439 0.92 KDM4E (0.41) KDM4EATML3MBTL1ALDH1A1MEN1
SCHEMBL22812410 0.91 KDM4E (0.38) KDM4EATML3MBTL1ALDH1A1
SCHEMBL20208706 0.91 KDM4E (0.40) KDM4EATML3MBTL1ALDH1A1MEN1
SCHEMBL20208701 0.90 KDM4E (0.39) KDM4EATML3MBTL1ALDH1A1
SCHEMBL20208702 0.87 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL20208707 0.87 KDM4E (0.37) KDM4EATML3MBTL1ALDH1A1MEN1
SCHEMBL22812390 0.86 TSPO (0.34) KDM4EATML3MBTL1
SCHEMBL20208712 0.85 KDM4E (0.37) KDM4EATML3MBTL1ALDH1A1MEN1
SCHEMBL20208966 0.84 KDM4E (0.36) KDM4EATML3MBTL1
SCHEMBL20208735 0.83 ATM (0.33) 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