SCHEMBL24945604

SCHEMBL24945604

c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5-c5ccccc5-c5ccccc5)cc4)c4ccc(-c5cccc6cccc(-c7ccccc7)c56)cc4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ATM Q13315 2/20 0.48
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
CYP3A4 P08684 2/20 0.40
PABPC1 P11940 1/20 0.40
DNMT1 P26358 1/20 0.40
PDE6D O43924 1/20 0.40
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
TYMS P04818 1/20 0.38
CES2 O00748 1/20 0.36
BCHE P06276 1/20 0.36
CES1 P23141 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL24944483 1.00 ALDH1A1 (0.48) ALDH1A1L3MBTL1TSHRMAPK1HSD17B10
SCHEMBL24945450 0.98 ALDH1A1 (0.47) ALDH1A1L3MBTL1TSHRMAPK1HSD17B10
SCHEMBL24945605 0.98 ALDH1A1 (0.50) ALDH1A1L3MBTL1TSHRMAPK1HSD17B10
SCHEMBL24945606 0.98 ALDH1A1 (0.50) ALDH1A1L3MBTL1TSHRMAPK1HSD17B10
SCHEMBL24945428 0.98 ALDH1A1 (0.50) ALDH1A1L3MBTL1TSHRMAPK1HSD17B10
SCHEMBL24945436 0.98 ALDH1A1 (0.45) ALDH1A1L3MBTL1TSHRMAPK1HSD17B10
SCHEMBL22837463 0.98 ALDH1A1 (0.45) ALDH1A1L3MBTL1TSHRMAPK1HSD17B10
SCHEMBL24945492 0.98 ALDH1A1 (0.45) ALDH1A1L3MBTL1TSHRMAPK1HSD17B10
SCHEMBL24945339 0.96 ALDH1A1 (0.43) ALDH1A1L3MBTL1TSHRMAPK1HSD17B10
SCHEMBL24945449 0.96 ALDH1A1 (0.43) ALDH1A1L3MBTL1TSHRMAPK1HSD17B10

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
US-20230013038-A1 LIGHT EMITTING DEVICE AND AMINE COMPOUND FOR LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-19 US disclosed