SCHEMBL29533436

SCHEMBL29533436

c1ccc(-n2c3ccccc3c3c(-c4cccc5c4[nH]c4ccccc45)cccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP14 Q460N5 15/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KIF11 P52732 1/20 0.41
▸ PDE7A Q13946 1/20 0.40
▸ PDE7B Q9NP56 1/20 0.40
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ GABRA3 P34903 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ GABRA4 P48169 1/20 0.40
▸ GABRE P78334 1/20 0.40
▸ GABRA6 Q16445 1/20 0.40

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
SCHEMBL26646699 1.00 PARP14 (0.46) PARP14KDM4EATML3MBTL1KIF11
SCHEMBL17831767 0.86 KDM4E (0.49) KDM4EATML3MBTL1PDE7APDE7B
SCHEMBL29383997 0.84 GABRP (0.50) KDM4EATML3MBTL1KIF11PDE7A
SCHEMBL2741513 0.84 GABRP (0.50) KDM4EATML3MBTL1KIF11PDE7A
SCHEMBL31571478 0.84 GABRP (0.50) KDM4EATML3MBTL1KIF11PDE7A
SCHEMBL11998218 0.83 L3MBTL1 (0.65) KDM4EATML3MBTL1
SCHEMBL14657887 0.83 KDM4E (0.46) PARP14KDM4EATML3MBTL1KIF11
SCHEMBL29206058 0.82 PARP14 (0.37) PARP14
SCHEMBL18561901 0.82 L3MBTL1 (0.63) KDM4EATML3MBTL1
SCHEMBL17877968 0.80 KDM4E (0.61) KDM4EATML3MBTL1

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
WO-2022075270-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2022-04-14 — — WO disclosed
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