SCHEMBL22989259

SCHEMBL22989259

c1ccc(-c2cc(-n3c4ccc5cccc6sc7cccc8ccc3c(c87)c4c56)ccc2-c2nc3ccccc3nc2-c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.36
LMNA P02545 5/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 7/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
PDE10A Q9Y233 3/20 0.31
ATM Q13315 1/20 0.31
TLR9 Q9NR96 1/20 0.31
POLB P06746 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN5 P54829 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
SCHEMBL22989059 0.87 LMNA (0.39) KDM4ELMNAALDH1A1GAAL3MBTL1
SCHEMBL22989063 0.86 LMNA (0.39) KDM4ELMNAALDH1A1GAAL3MBTL1
SCHEMBL22989067 0.86 L3MBTL1 (0.38) KDM4ELMNAALDH1A1GAAL3MBTL1
SCHEMBL22989239 0.86 KDM4E (0.36) KDM4ELMNAALDH1A1GAAL3MBTL1
SCHEMBL22989065 0.82 MAPK10 (0.38) KDM4ELMNAALDH1A1L3MBTL1TDP1
SCHEMBL22989099 0.82 KDM4E (0.41) KDM4ELMNAALDH1A1GAAL3MBTL1
SCHEMBL22989202 0.82 KDM4E (0.36) KDM4ELMNAALDH1A1GAAL3MBTL1
SCHEMBL22989096 0.81 KDM4E (0.36) KDM4ELMNAALDH1A1GAAL3MBTL1
SCHEMBL22989066 0.81 FLT3 (0.33) KDM4ELMNAALDH1A1SMN1; SMN2PDE10A
SCHEMBL22989094 0.81 AKT1 (0.38) KDM4ELMNAALDH1A1L3MBTL1TDP1

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-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed