SCHEMBL20114870

SCHEMBL20114870

c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4Sc4cc(-c5cccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5)ccc43)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.32
AVPR1A P37288 1/20 0.31
BCHE P06276 2/20 0.30
ACHE P22303 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL20114868 0.97 KDM4E (0.33) KDM4EATML3MBTL1AVPR1A
SCHEMBL20114412 0.96 KDM4E (0.32) KDM4EATML3MBTL1AVPR1A
SCHEMBL20114900 0.96 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL20114909 0.94 BCHE (0.31) BCHEACHE
SCHEMBL20114290 0.93
SCHEMBL20114910 0.93 BCHE (0.31) BCHEACHE
SCHEMBL20114858 0.92 HDAC6 (0.32) KDM4EATML3MBTL1ALDH1A1BCHE
SCHEMBL17471209 0.92 KDM4E (0.38) KDM4EATML3MBTL1ALDH1A1BCHE
SCHEMBL20114871 0.92
SCHEMBL20114284 0.91 KDM4E (0.33) 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