SCHEMBL20754145

SCHEMBL20754145

c1ccc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4c3oc3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc34)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PRKDC P78527 1/20 0.34
ALOX5 P09917 1/20 0.33
PTGER4 P35408 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31

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
SCHEMBL20754155 0.96 KDM4E (0.38) KDM4EATML3MBTL1ALDH1A1TP53
SCHEMBL22258033 0.95 KDM4E (0.37) KDM4EATML3MBTL1ALDH1A1TP53
SCHEMBL22257970 0.95 KDM4E (0.37) KDM4EATML3MBTL1ALDH1A1TP53
SCHEMBL24231170 0.95 KDM4E (0.37) KDM4EATML3MBTL1ALDH1A1TP53
SCHEMBL21192081 0.94 ALOX5 (0.39) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL24216184 0.93 KDM4E (0.35) KDM4EATML3MBTL1MAPTPRKDC
SCHEMBL23948049 0.93 ALOX5 (0.38) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL24216283 0.93 ALOX5 (0.38) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL22258184 0.93 PRKDC (0.35) KDM4EATML3MBTL1ALDH1A1TP53
SCHEMBL22257699 0.93 ALOX5 (0.37) KDM4EATML3MBTL1ALDH1A1TP53

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-20190058131-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2019-02-21 US disclosed