SCHEMBL20208735

SCHEMBL20208735

c1ccc(-c2cccc(-n3c4ccccc4c4c5c6c(cc43)Oc3ccccc3N6c3ccccc3O5)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FAAH O00519 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL22812390 0.93 TSPO (0.34) ATMKDM4EL3MBTL1
SCHEMBL20208702 0.92 KDM4E (0.35) ATMKDM4EL3MBTL1
SCHEMBL22812439 0.91 KDM4E (0.41) ATMKDM4EL3MBTL1ALDH1A1
SCHEMBL20208933 0.91 KDM4E (0.30) ATMKDM4EL3MBTL1
SCHEMBL20208707 0.88 KDM4E (0.37) ATMKDM4EL3MBTL1ALDH1A1
SCHEMBL20208701 0.87 KDM4E (0.39) ATMKDM4EL3MBTL1ALDH1A1
SCHEMBL22812410 0.86 KDM4E (0.38) ATMKDM4EL3MBTL1ALDH1A1
SCHEMBL20208967 0.86 ATM (0.34) ATMKDM4EL3MBTL1FAAHALDH1A1
SCHEMBL20208706 0.86 KDM4E (0.40) ATMKDM4EL3MBTL1ALDH1A1
SCHEMBL20208703 0.85 KDM4E (0.33) ATMKDM4EL3MBTL1

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