SCHEMBL29067537

SCHEMBL29067537

C=CC(CO)Nc1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DDX3X O00571 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ DHODH Q02127 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
SCHEMBL29067517 0.80 KMT2A (0.44) MAPTHTTL3MBTL1HPGDALDH1A1
SCHEMBL29067546 0.79 KCNQ2 (0.38) MAPTHTTNPC1RAB9AHPGD
SCHEMBL29067530 0.79 KMT2A (0.38) MAPTHTTNPC1RAB9AL3MBTL1
SCHEMBL2228853 0.79 ALDH1A1 (0.40) MAPTHTTNPC1RAB9AHPGD
SCHEMBL29067534 0.77 CA12 (0.47) MAPTNPC1RAB9AHPGDALDH1A1
SCHEMBL20206272 0.77 NPC1 (0.42) MAPTHTTNPC1RAB9AHPGD
SCHEMBL29067532 0.76 GAA (0.47) MAPTNPC1L3MBTL1ALDH1A1KDM4E
SCHEMBL29067526 0.76 KDM4E (0.42) L3MBTL1HPGDALDH1A1KDM4EGAA
SCHEMBL20780229 0.74 MAPT (0.47) MAPTHTTNPC1RAB9AL3MBTL1
SCHEMBL29067518 0.74 TDP1 (0.40) MAPTL3MBTL1ALDH1A1KDM4EGAA

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-116462598-B Allyl arylamine compound and preparation method and application thereof 成都市第二人民医院 2024-08-09 — — CN disclosed
CN-116462598-A Allyl arylamine compound and preparation method and application thereof 成都市第二人民医院 2023-07-21 — — CN disclosed
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