SCHEMBL29429046

SCHEMBL29429046

N#Cc1ccc(-[13c]2cc3ccccc3n2-c2cc(-c3ccccc3)cc3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.43
▸ PDPK1 O15530 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MYC P01106 1/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A3 P47895 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL28703771 1.00 HTR6 (0.43) HTR6PDPK1KMT2AMYCCA1
SCHEMBL29429024 1.00 HTR6 (0.43) HTR6PDPK1KMT2AMYCCA1
SCHEMBL28690145 0.89 HTR6 (0.41) HTR6KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL29429070 0.89 HTR6 (0.41) HTR6KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL29429033 0.89 HTR6 (0.41) HTR6KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL29429090 0.88 HTR6 (0.49) HTR6KMT2ACA2L3MBTL1KDM4E
SCHEMBL28684397 0.88 HTR6 (0.49) HTR6KMT2ACA2L3MBTL1KDM4E
SCHEMBL29429027 0.88 HTR6 (0.49) HTR6KMT2ACA2L3MBTL1KDM4E
SCHEMBL29429019 0.84 HTR6 (0.43) HTR6KMT2ACA2L3MBTL1KDM4E
SCHEMBL28690173 0.84 KMT2A (0.44) HTR6KMT2AL3MBTL1KDM4EALDH1A1

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-114057623-B N-naphthyl indole derivative and synthesis method thereof 湖南第一师范学院 2023-07-21 — — CN disclosed
CN-114057623-A N-naphthyl indole derivative and synthetic method thereof 湖南第一师范学院 2022-02-18 — — CN disclosed
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