SCHEMBL22486573

SCHEMBL22486573

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c4c3sc3ccccc34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE3A Q14432 1/20 0.30
PDE11A Q9HCR9 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
SCHEMBL22486562 0.93 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL22486598 0.93 KDM4E (0.35) KDM4EATML3MBTL1HSD17B10PDE1B
SCHEMBL22487514 0.93 KDM4E (0.33) KDM4EATML3MBTL1HSD17B10PDE1B
SCHEMBL22487575 0.92 KDM4E (0.35) KDM4EATML3MBTL1
SCHEMBL22486626 0.91 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL22486574 0.91 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL22487516 0.91 KDM4E (0.31) KDM4EATML3MBTL1
SCHEMBL22487526 0.91 KDM4E (0.31) KDM4EATML3MBTL1
SCHEMBL22486564 0.91
SCHEMBL27021021 0.90 ACP1 (0.32) KDM4EATML3MBTL1HSD17B10

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-2020197253-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-10-01 WO disclosed