SCHEMBL29429021

SCHEMBL29429021

Brc1ccc(-[13c]2cc3ccccc3n2-c2cc(-c3ccccc3)cc3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HAO1 Q9UJM8 1/20 0.37
▸ APP P05067 1/20 0.36
▸ ACLY P53396 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CKS1B P61024 1/20 0.33
▸ SKP2 Q13309 1/20 0.33

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
SCHEMBL28696215 1.00 HTR6 (0.43) HTR6KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL29429049 1.00 HTR6 (0.43) HTR6KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL29429027 0.92 HTR6 (0.49) HTR6KMT2AALDH1A1L3MBTL1HAO1
SCHEMBL28684397 0.92 HTR6 (0.49) HTR6KMT2AALDH1A1L3MBTL1HAO1
SCHEMBL29429090 0.92 HTR6 (0.49) HTR6KMT2AALDH1A1L3MBTL1HAO1
SCHEMBL28705207 0.87 HTR6 (0.43) HTR6KMT2AALDH1A1L3MBTL1HAO1
SCHEMBL29429103 0.87 HTR6 (0.43) HTR6KMT2AALDH1A1L3MBTL1HAO1
SCHEMBL28703811 0.87 HTR6 (0.43) HTR6KMT2AALDH1A1L3MBTL1HAO1
SCHEMBL28690173 0.87 KMT2A (0.44) HTR6KMT2AALDH1A1L3MBTL1HAO1
SCHEMBL29429023 0.87 KMT2A (0.44) HTR6KMT2AALDH1A1L3MBTL1HAO1

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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