SCHEMBL21454969

SCHEMBL21454969

c1ccc(-n2c3ccccc3c3cc4cc5c(cc4cc32)c2ccccc2n5-c2nc3ccccc3nc2-c2ccc3oc4ccccc4c3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHEK2 O96017 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
PTGER4 P35408 1/20 0.32
PRKACA P17612 1/20 0.31
RPS6KB1 P23443 1/20 0.31
GSK3B P49841 1/20 0.31
ROCK1 Q13464 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 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
SCHEMBL24104176 0.94 KDM4E (0.38) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL21942051 0.92 KDM4E (0.37) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL19655277 0.90 KDM4E (0.38) KDM4EATML3MBTL1SIRT2SIRT1
SCHEMBL21454964 0.89 L3MBTL1 (0.44) KDM4EATML3MBTL1PTGER4CASP1
SCHEMBL19653888 0.89 SIRT2 (0.35) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL19655164 0.87 SIRT2 (0.35) KDM4EATML3MBTL1CHEK2SIRT2
SCHEMBL21716203 0.86 HCRTR1 (0.31)
SCHEMBL21716212 0.86 HCRTR1 (0.31)
SCHEMBL21213312 0.86 L3MBTL1 (0.43) KDM4EATML3MBTL1PTGER4CASP1
SCHEMBL24104941 0.85 PLA2G2A (0.37) KDM4EL3MBTL1CHEK2CASP1HSD17B10

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-2019194481-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2019-10-10 WO disclosed