SCHEMBL29689637

SCHEMBL29689637

c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3c(c2)Oc2cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc2N3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ ALOX5 P09917 2/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ EDNRA P25101 2/20 0.36
▸ EDNRB P24530 1/20 0.36
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ IL1R1 P14778 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ PTPN1 P18031 2/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL30361009 0.88 KDM4E (0.46) L3MBTL1KDM4EATMALOX5HDAC4
SCHEMBL17265886 0.88 KDM4E (0.46) L3MBTL1KDM4EATMALOX5HDAC4
SCHEMBL20229432 0.84 KDM4E (0.42) L3MBTL1KDM4EATMEDNRAIL1R1
SCHEMBL30361019 0.84 ALOX5 (0.52) L3MBTL1KDM4EATMALOX5EDNRA
SCHEMBL17265891 0.84 ALOX5 (0.52) L3MBTL1KDM4EATMALOX5EDNRA
SCHEMBL16891158 0.79 KDM4E (0.38) L3MBTL1KDM4EATMHDAC4EDNRA
SCHEMBL16889727 0.78 KDM4E (0.37) L3MBTL1KDM4EATMHDAC4EDNRA
SCHEMBL16801462 0.78 L3MBTL1 (0.46) L3MBTL1KDM4EATMHDAC4EDNRA
SCHEMBL18622764 0.77 L3MBTL1 (0.46) L3MBTL1KDM4EATMHDAC4EDNRA
SCHEMBL10110900 0.77 ALOX5 (0.52) KDM4EALOX5CYP11B1CYP11B2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539287-B Polycyclic aromatic compound and application thereof in electroluminescent device 清华大学 2024-11-15 — — CN disclosed
CN-114539287-A Polycyclic aromatic compound and application thereof in electroluminescent device 清华大学 2022-05-27 — — CN disclosed
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