SCHEMBL29429030

SCHEMBL29429030

CC(=O)c1ccc(-[13c]2cc3ccccc3n2-c2cc(-c3ccccc3)cc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HAO1 Q9UJM8 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 3/20 0.40
▸ HTR6 P50406 2/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ APP P05067 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ NQO2 P16083 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SGK1 O00141 1/20 0.36

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
SCHEMBL28686520 1.00 MAPT (0.47) MAPTSMN1; SMN2HAO1ALDH1A1HPGD
SCHEMBL29429022 1.00 MAPT (0.47) MAPTSMN1; SMN2HAO1ALDH1A1HPGD
SCHEMBL28684397 0.86 HTR6 (0.49) MAPTHAO1ALDH1A1HPGDKDM4E
SCHEMBL29429027 0.86 HTR6 (0.49) MAPTHAO1ALDH1A1HPGDKDM4E
SCHEMBL29429090 0.86 HTR6 (0.49) MAPTHAO1ALDH1A1HPGDKDM4E
SCHEMBL29429041 0.84 KMT2A (0.44) HAO1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL28690173 0.84 KMT2A (0.44) HAO1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL29429045 0.84 KMT2A (0.44) HAO1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL28690221 0.84 KMT2A (0.44) HAO1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL29429036 0.84 KMT2A (0.44) HAO1ALDH1A1HPGDKDM4EHSD17B10

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
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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