SCHEMBL22706602

SCHEMBL22706602

c1ccc(-c2cc(-c3c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4cc4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)c3ccccc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ATM Q13315 1/20 0.41
KMT2A Q03164 3/20 0.34
NTSR1 P30989 1/20 0.34
HTR6 P50406 2/20 0.33
MCL1 Q07820 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
PTGER4 P35408 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
TSPO P30536 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
HDAC4 P56524 1/20 0.32
IL1R1 P14778 1/20 0.32

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
SCHEMBL22705758 0.93 L3MBTL1 (0.41) L3MBTL1KDM4EATMKMT2ANTSR1
SCHEMBL22706607 0.93 L3MBTL1 (0.41) L3MBTL1KDM4EATMKMT2ANTSR1
SCHEMBL22705725 0.91 KDM4E (0.41) L3MBTL1KDM4EATMKMT2ANTSR1
SCHEMBL22706591 0.91 KDM4E (0.43) L3MBTL1KDM4EATMKMT2ANTSR1
SCHEMBL22708170 0.90 L3MBTL1 (0.44) L3MBTL1KDM4EATMKMT2AMCL1
SCHEMBL22706369 0.89 KDM4E (0.46) L3MBTL1KDM4EATMKMT2ANTSR1
SCHEMBL25485574 0.87 KDM4E (0.36) L3MBTL1KDM4EATMKMT2ANTSR1
SCHEMBL22705760 0.87 L3MBTL1 (0.42) L3MBTL1KDM4EATMKMT2ANTSR1
SCHEMBL22706283 0.87 KDM4E (0.39) L3MBTL1KDM4EKMT2ANTSR1MCL1
SCHEMBL22627947 0.87 KDM4E (0.44) L3MBTL1KDM4EATMKMT2ANTSR1

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
US-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 US disclosed