SCHEMBL21728485

SCHEMBL21728485

C1=CC(c2ccc(C3(c4ccc(-c5nc(C6=CCCC=C6)nc(-c6ccccc6)n5)cc4)CCCCC3)cc2)=CCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
ALOX5AP P20292 1/20 0.33
HSD11B1 P28845 2/20 0.33
NR1I2 O75469 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL21728107 0.99 SLC6A2 (0.35) L3MBTL1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL21728119 0.99 SLC6A2 (0.35) L3MBTL1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL21728308 0.99 SLC6A2 (0.35) L3MBTL1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL21728186 0.92 PGR (0.39) L3MBTL1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL21728309 0.91 MEN1 (0.34) L3MBTL1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL21728310 0.90 SLC6A2 (0.34) L3MBTL1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL21728182 0.89 SLC6A4 (0.33) L3MBTL1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL21728214 0.89 MEN1 (0.38) ALDH1A1ALOX5APAKT1AKT2MEN1
SCHEMBL21728181 0.88 HSD11B1 (0.31) L3MBTL1ALDH1A1HSD11B1NR1I2
SCHEMBL21728295 0.88 MEN1 (0.37) ALDH1A1SLC6A2SLC6A4SLC6A3ALOX5AP

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