SCHEMBL29429067

SCHEMBL29429067

Fc1ccc2c(c1)c[13c](-c1ccccc1)n2-c1cc(-c2ccccc2)cc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.43
▸ NTRK1 P04629 2/20 0.38
▸ ACLY P53396 5/20 0.36
▸ NR3C1 P04150 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ HAO1 Q9UJM8 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ APAF1 O14727 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL29429018 1.00 HTR6 (0.43) HTR6NTRK1ACLYNR3C1KMT2A
SCHEMBL28696214 1.00 HTR6 (0.43) HTR6NTRK1ACLYNR3C1KMT2A
SCHEMBL29429025 0.90 HTR6 (0.43) HTR6NR3C1KMT2AL3MBTL1HAO1
SCHEMBL28683381 0.90 HTR6 (0.43) HTR6NR3C1KMT2AL3MBTL1HAO1
SCHEMBL28705207 0.90 HTR6 (0.43) HTR6NR3C1KMT2AL3MBTL1HAO1
SCHEMBL29429052 0.90 HTR6 (0.43) HTR6NR3C1KMT2AL3MBTL1HAO1
SCHEMBL29429059 0.90 HTR6 (0.43) HTR6NR3C1KMT2AL3MBTL1HAO1
SCHEMBL29429103 0.90 HTR6 (0.43) HTR6NR3C1KMT2AL3MBTL1HAO1
SCHEMBL29429088 0.87 KMT2A (0.41) HTR6NTRK1ACLYNR3C1KMT2A
SCHEMBL28932895 0.87 KMT2A (0.41) HTR6NTRK1ACLYNR3C1KMT2A

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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