SCHEMBL21454972

SCHEMBL21454972

c1ccc(-n2c3ccccc3c3cc4cc5c(cc4cc32)c2ccccc2n5-c2nc3ccccc3nc2-c2cccc3sc4ccccc4c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GSR P00390 1/20 0.32
CYP1A2 P05177 1/20 0.32
PDE1B Q01064 1/20 0.31
PDE3A Q14432 1/20 0.31
PDE11A Q9HCR9 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL21213126 0.92 CYP1A2 (0.34) KDM4EGSRCYP1A2NPC1LMNA
SCHEMBL21454971 0.88 KDM4E (0.36) KDM4EATML3MBTL1GSRNPC1
SCHEMBL21716934 0.85 GSR (0.41) GSRCYP1A2
SCHEMBL21716683 0.85 GSR (0.40) GSRCYP1A2
SCHEMBL23783734 0.85 GSR (0.30) GSR
SCHEMBL21716716 0.85 GSR (0.32) GSRCYP1A2
SCHEMBL21924902 0.84 PIM3 (0.31) CYP1A2
SCHEMBL21213124 0.84 KDM4E (0.40) KDM4EATML3MBTL1GSRCYP1A2
SCHEMBL21454961 0.84 KDM4E (0.42) KDM4EATML3MBTL1GSRCYP1A2
SCHEMBL23874653 0.84 GSR (0.32) KDM4EATML3MBTL1GSRCYP1A2

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