SCHEMBL22989099

SCHEMBL22989099

c1ccc(-c2nc3ccccc3nc2-c2ccccc2-n2c3ccc4cccc5sc6cccc7ccc2c(c76)c3c45)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
LMNA P02545 5/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
L3MBTL1 Q9Y468 7/20 0.41
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
PKM P14618 1/20 0.33
MAPK1 P28482 2/20 0.32
RECQL P46063 2/20 0.32
MAPT P10636 1/20 0.32
MMP14 P50281 1/20 0.32
PDE6D O43924 1/20 0.32
CYP1A2 P05177 1/20 0.32
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
SCHEMBL22989064 0.92 LMNA (0.39) KDM4ELMNAALDH1A1GAAL3MBTL1
SCHEMBL22989096 0.89 KDM4E (0.36) KDM4ELMNAALDH1A1GAAL3MBTL1
SCHEMBL24245744 0.88 KDM4E (0.45) KDM4ELMNAALDH1A1GAAL3MBTL1
SCHEMBL22989202 0.88 KDM4E (0.36) KDM4ELMNAALDH1A1GAAL3MBTL1
SCHEMBL22989091 0.86 LMNA (0.35) KDM4ELMNAALDH1A1GAAL3MBTL1
SCHEMBL24245751 0.86 KDM4E (0.43) KDM4ELMNAALDH1A1GAAL3MBTL1
SCHEMBL22989242 0.85 KDM4E (0.42) KDM4ELMNAALDH1A1GAAL3MBTL1
SCHEMBL22988940 0.83 CASP1 (0.40) KDM4ELMNAALDH1A1GAAL3MBTL1
SCHEMBL24741313 0.83 L3MBTL1 (0.47) KDM4ELMNAALDH1A1GAAL3MBTL1
SCHEMBL22989259 0.82 KDM4E (0.36) KDM4ELMNAALDH1A1GAAL3MBTL1

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