SCHEMBL20114858

SCHEMBL20114858

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc(-c6ccc7c(c6)Sc6ccccc6N7c6ccccc6)c5)cc43)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.30
BCHE P06276 2/20 0.30
ACHE P22303 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL20114909 0.94 BCHE (0.31) BCHEACHE
SCHEMBL20114284 0.93 KDM4E (0.33) HDAC6KDM4EATML3MBTL1
SCHEMBL20114910 0.93 BCHE (0.31) BCHEACHE
SCHEMBL20114870 0.92 KDM4E (0.36) KDM4EATML3MBTL1BCHEACHE
SCHEMBL20114269 0.92 HDAC6 (0.33) HDAC6KDM4EATML3MBTL1BCHE
SCHEMBL20114819 0.91 HDAC6 (0.33) HDAC6KDM4EATML3MBTL1BCHE
SCHEMBL20114404 0.91 HDAC6 (0.33) HDAC6KDM4EATML3MBTL1BCHE
SCHEMBL20114183 0.91 HDAC6 (0.33) HDAC6KDM4EATML3MBTL1BCHE
SCHEMBL20114412 0.90 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL20114900 0.90 KDM4E (0.32) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018080067-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 2018-05-03 WO disclosed