SCHEMBL24945451

SCHEMBL24945451

c1ccc(-c2cccc(-c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(-c6cccc7cccc(-c8ccccc8)c67)cc5)cc4)cc3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
ATM Q13315 2/20 0.38
PDE6D O43924 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MAPT P10636 2/20 0.35
CYP3A4 P08684 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL24945313 1.00 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL24945309 1.00 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL24945311 1.00 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL24945312 0.98 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL22452171 0.98 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL24944556 0.98 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL24945443 0.98 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL24945444 0.98 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL24944529 0.98 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL24945441 0.98 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1HSD17B10CASP1

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