SCHEMBL28445320

SCHEMBL28445320

C1=CC(c2cccc3c2[nH]c2ccccc23)c2cccc3cccc1c23

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.43
BCHE P06276 1/20 0.40
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34

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
SCHEMBL21994346 0.79 KDM1A (0.40) ALDH1A1HSD17B10MAPTCYP1A2KDM4E
SCHEMBL4899647 0.75 AOC3 (0.34) HSD17B10MAPTKDM4EHPGD
SCHEMBL29152742 0.74
SCHEMBL29152783 0.74
SCHEMBL21326205 0.73 L3MBTL1 (0.36) ALDH1A1HSD17B10MAPTCYP1A2KDM4E
SCHEMBL26647477 0.73 PARP1 (0.35)
SCHEMBL28135570 0.73 ALDH1A1 (0.37) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL28231919 0.73 ERBB2 (0.35) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL28438624 0.72 GPR3 (0.36) ALDH1A1HSD17B10GPR3MAPTMEN1
SCHEMBL2466948 0.72

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112204026-B Polycyclic compound and organic light emitting diode including the same 株式会社LG化学 2024-05-07 CN disclosed
CN-112204026-A Polycyclic compound and organic light emitting diode comprising same 株式会社LG化学 2021-01-08 CN disclosed
CN-111463352-A Organic light emitting device and display apparatus including the same 三星显示有限公司 2020-07-28 CN disclosed