SCHEMBL21728119

SCHEMBL21728119

C1=CC(c2ccc(C3(c4ccc(-c5nc(C6=CCCC=C6)nc(-c6ccc(-c7ccccc7)cc6)n5)cc4)CCCCC3)cc2)=CCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
ALOX5AP P20292 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 4/20 0.34
NR1I2 O75469 2/20 0.34
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
AKT2 P31751 3/20 0.31
PGR P06401 1/20 0.30
AKT1 P31749 2/20 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 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3ALOX5APALDH1A1
SCHEMBL21728308 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3ALOX5APALDH1A1
SCHEMBL21728485 0.99 L3MBTL1 (0.36) SLC6A2SLC6A4SLC6A3ALOX5APALDH1A1
SCHEMBL21728186 0.93 PGR (0.39) SLC6A2SLC6A4SLC6A3ALOX5APALDH1A1
SCHEMBL21728310 0.91 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3ALOX5APALDH1A1
SCHEMBL21728182 0.90 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3ALDH1A1L3MBTL1
SCHEMBL21728309 0.89 MEN1 (0.34) SLC6A2SLC6A4SLC6A3ALOX5APALDH1A1
SCHEMBL21728295 0.89 MEN1 (0.37) SLC6A2SLC6A4SLC6A3ALOX5APALDH1A1
SCHEMBL21728411 0.88 NR1I2 (0.33) SLC6A2SLC6A4SLC6A3ALDH1A1L3MBTL1
SCHEMBL21728214 0.87 MEN1 (0.38) ALOX5APALDH1A1AKT2PGRAKT1

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