SCHEMBL23119072

SCHEMBL23119072

c1ccc(-c2ccccc2-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6ccccc56)cc4)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
MAPK14 Q16539 1/20 0.36
PDE6D O43924 1/20 0.34
MCL1 Q07820 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
POLB P06746 1/20 0.34
ALK Q9UM73 1/20 0.34
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TNF P01375 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NTSR1 P30989 2/20 0.33

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
SCHEMBL23119002 1.00 KDM4E (0.40) KDM4EATML3MBTL1CA12CA1
SCHEMBL23119098 0.96 KDM4E (0.42) KDM4EATML3MBTL1CA12CA1
SCHEMBL23118789 0.96 KDM4E (0.42) KDM4EATML3MBTL1CA12CA1
SCHEMBL23118779 0.94 KDM4E (0.39) KDM4EATML3MBTL1CA12CA1
SCHEMBL23118991 0.94 KDM4E (0.42) KDM4EATML3MBTL1CA12CA1
SCHEMBL26480935 0.94 CA12 (0.42) KDM4EATML3MBTL1CA12CA1
SCHEMBL25941107 0.94 CA12 (0.44) KDM4EATML3MBTL1CA12CA1
SCHEMBL23118771 0.93 KDM4E (0.38) KDM4EATML3MBTL1CA12CA1
SCHEMBL23119011 0.93 KDM4E (0.38) KDM4EATML3MBTL1CA12CA1
SCHEMBL23118657 0.93 CA12 (0.38) KDM4EATML3MBTL1CA12CA1

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-11171295-B2 Organic electroluminescent element NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2021-11-09 US disclosed
US-20210083195-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2021-03-18 US disclosed