SCHEMBL20208802

SCHEMBL20208802

c1ccc2c(c1)Oc1cc3c4ccccc4n(-c4nc(-c5ccc6oc7ccccc7c6c5)c5ccccc5n4)c3c3c1N2c1ccccc1O3

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
KMT2A Q03164 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
SCHEMBL20208799 0.89 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL20208977 0.89 CHEK2 (0.30) CHEK2
SCHEMBL22145865 0.89 CHEK2 (0.31) CHEK2KDM4EALDH1A1MAPTHPGD
SCHEMBL20208960 0.89 ALOX5 (0.33)
SCHEMBL20208736 0.86 ALOX5 (0.30)
SCHEMBL20208800 0.85 ALDH1A1 (0.37) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL22812507 0.84 DHODH (0.34) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL20208936 0.84 ALDH1A1 (0.34) KDM4EALDH1A1MAPTHPGDNPSR1
SCHEMBL22145834 0.83 KDM4E (0.32) CHEK2KDM4EALDH1A1MAPTHPGD
SCHEMBL20209198 0.83 ALOX5 (0.35) KDM4EALDH1A1MAPTHPGDNPSR1

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