SCHEMBL20208634

SCHEMBL20208634

CC1(C)c2ccccc2-c2cc3c4c5c6c(cc4n(-c4nc(-c7ccccc7)c7ccccc7n4)c3cc21)Oc1ccccc1N6c1ccccc1O5

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.30
NUDT1 P36639 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
SCHEMBL20208969 0.89
SCHEMBL22812510 0.85
SCHEMBL20208797 0.84 ALDH1A1 (0.39) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL22812487 0.83
SCHEMBL22812481 0.82 ALDH1A1 (0.37) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL22145893 0.82 KDM4E (0.31) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL20208739 0.80
SCHEMBL22959455 0.79 ALDH1A1 (0.35) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL20208709 0.78 ALDH1A1 (0.33) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL20208711 0.78 ALDH1A1 (0.33) KDM4EALDH1A1HPGDMAPTNPSR1

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