SCHEMBL29419475

SCHEMBL29419475

c1ccc(-c2cccc3c2[nH]c2ccccc23)c(-c2cc(-c3ccccc3-c3cccc4c3[nH]c3ccccc34)cc(-c3ccccc3-c3cccc4c3[nH]c3ccccc34)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.52
PARP14 Q460N5 13/20 0.51
ALDH1A1 P00352 1/20 0.46
GPR3 P46089 1/20 0.46
HSD17B10 Q99714 1/20 0.46
BCHE P06276 1/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46

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
SCHEMBL417017 1.00 KIF11 (0.52) KIF11PARP14ALDH1A1GPR3HSD17B10
SCHEMBL29935623 0.92 KIF11 (0.55) KIF11PARP14ALDH1A1GPR3HSD17B10
SCHEMBL415890 0.92 KIF11 (0.55) KIF11PARP14ALDH1A1GPR3HSD17B10
SCHEMBL29470863 0.91 KIF11 (0.50) KIF11PARP14ALDH1A1GPR3HSD17B10
SCHEMBL6069280 0.91 KIF11 (0.53) KIF11PARP14ALDH1A1GPR3HSD17B10
SCHEMBL51674 0.90 KIF11 (0.61) KIF11PARP14ALDH1A1GPR3HSD17B10
SCHEMBL191654 0.90 KIF11 (0.61) KIF11PARP14ALDH1A1GPR3HSD17B10
SCHEMBL30521516 0.90 KIF11 (0.61) KIF11PARP14ALDH1A1GPR3HSD17B10
SCHEMBL190688 0.89 PARP14 (0.52) KIF11PARP14
SCHEMBL31275984 0.89 PARP14 (0.52) KIF11PARP14

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-11233213-B2 Organic light emitting display device SAMSUNG DISPLAY CO., LTD. (KR) 2022-01-25 US disclosed