SCHEMBL21728309

SCHEMBL21728309

C1=CC(c2ccc(C3(c4ccc(-c5cc(-c6ccccc6)nc(C6=CCCC=C6)n5)cc4)CCCCCC3)cc2)=CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
HPGD P15428 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
NTSR1 P30989 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX5AP P20292 1/20 0.32
ADORA1 P30542 2/20 0.32
PGR P06401 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
AGTR1 P30556 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NR1I2 O75469 1/20 0.32
HSD11B1 P28845 1/20 0.32
L3MBTL1 Q9Y468 2/20 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
SCHEMBL21728310 0.99 SLC6A2 (0.34) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21728214 0.93 MEN1 (0.38) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21728295 0.92 MEN1 (0.37) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21728485 0.91 L3MBTL1 (0.36) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21728448 0.90 MEN1 (0.39) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21728107 0.89 SLC6A2 (0.35) ALDH1A1ALOX5APPGRSLC6A2SLC6A4
SCHEMBL21728308 0.89 SLC6A2 (0.35) ALDH1A1ALOX5APPGRSLC6A2SLC6A4
SCHEMBL21728119 0.89 SLC6A2 (0.35) ALDH1A1ALOX5APPGRSLC6A2SLC6A4
SCHEMBL21728131 0.88 NR1I2 (0.30) NR1I2HSD11B1
SCHEMBL21728297 0.87 PGR (0.39) MEN1KMT2AHPGDALDH1A1MAPT

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
EP-3214084-B1 CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-19 EP disclosed