SCHEMBL22329558

SCHEMBL22329558

c1ccc(-c2nc(-c3ccc4c(c3)sc3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE1B Q01064 1/20 0.32
PDE3A Q14432 1/20 0.32
PDE11A Q9HCR9 1/20 0.32
RXFP1 Q9HBX9 2/20 0.31
HSD17B10 Q99714 1/20 0.30
PRMT5 O14744 1/20 0.30
MAT2A P31153 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
SCHEMBL17252451 0.98 KDM4E (0.38) KDM4EATML3MBTL1PDE1BPDE3A
SCHEMBL23947429 0.97 KDM4E (0.35) KDM4EATML3MBTL1PDE1BPDE3A
SCHEMBL23947431 0.97 KDM4E (0.35) KDM4EATML3MBTL1PDE1BPDE3A
SCHEMBL24184441 0.97 KDM4E (0.38) KDM4EATML3MBTL1PDE1BPDE3A
SCHEMBL26080530 0.96 KDM4E (0.38) KDM4EATML3MBTL1PDE1BPDE3A
SCHEMBL22258147 0.96 KDM4E (0.38) KDM4EATML3MBTL1PDE1BPDE3A
SCHEMBL22329943 0.96 KDM4E (0.36) KDM4EATML3MBTL1PDE1BPDE3A
SCHEMBL23947857 0.94 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL23947428 0.94 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL27021083 0.94 KDM4E (0.35) KDM4EATML3MBTL1PDE1BPDE3A

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
US-11581494-B2 Organic light emitting device LG CHEM, LTD. (KR) 2023-02-14 US disclosed
US-20200259098-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2020-08-13 US disclosed