SCHEMBL16889557

SCHEMBL16889557

c1cc2c(c(-c3ccncc3)c1)Oc1cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc3c1B2c1cccc(-c2ccncc2)c1O3

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR6 P50406 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
SCHEMBL16889522 0.92 HTR6 (0.32) KDM4EATML3MBTL1HTR6
SCHEMBL16889235 0.92 KDM4E (0.37) KDM4EATML3MBTL1
SCHEMBL16889582 0.91 KDM4E (0.31) KDM4EATML3MBTL1
SCHEMBL16889543 0.89 MAPK14 (0.35) KDM4E
SCHEMBL17013580 0.88 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL16889580 0.86 MAPK14 (0.34) KDM4EATML3MBTL1
SCHEMBL16889859 0.84 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL16889397 0.83 NOTUM (0.40)
SCHEMBL16889894 0.83 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL16889907 0.83 KDM4E (0.34) KDM4EATML3MBTL1

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-3345911-A1 POLYCYCLIC AROMATIC COMPOUNDS AND THEIR USE AS ORGANIC DEVICE MATERIAL Kwansei Gakuin Educational Foundation (JP) 2018-07-11 EP disclosed
WO-2015102118-A1 POLYCYCLIC AROMATIC COMPOUND 学校法人関西学院 2015-07-09 WO disclosed