SCHEMBL30523636

SCHEMBL30523636

NCc1ccc(COCCO)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.40
▸ IDO1 P14902 3/20 0.39
▸ AGXT P21549 2/20 0.39
▸ MAP2K1 Q02750 2/20 0.34
▸ LOXL2 Q9Y4K0 2/20 0.34
▸ ABAT P80404 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ MAPK14 Q16539 2/20 0.33
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 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
SCHEMBL15054210 1.00 MAOB (0.40) MAOBIDO1AGXTMAP2K1LOXL2
SCHEMBL12982772 0.80 IDO1 (0.41) MAOBIDO1AGXTMAP2K1
SCHEMBL18562850 0.77 LOXL2 (0.43) MAOBIDO1AGXTLOXL2ABAT
SCHEMBL13172290 0.77 MAPK14 (0.40) MAOBIDO1AGXTMAP2K1MAPK14
SCHEMBL26030133 0.77 PTGER1 (0.40) IDO1AGXTMAP2K1
SCHEMBL21196404 0.76 MAOB (0.44) MAOBIDO1AGXTLOXL2MAPK14
Hydrochloric Acid SCHEMBL25408330 0.75 MAOB (0.45) MAOBIDO1AGXTLOXL2MAPK14
Hydrochloric Acid SCHEMBL29506808 0.75 MAOB (0.45) MAOBIDO1AGXTLOXL2MAPK14
SCHEMBL2007285 0.74 LOXL2 (0.48) MAOBIDO1AGXTLOXL2ABAT
SCHEMBL25404920 0.73 MAOB (0.41) MAOBIDO1AGXTLOXL2MAPK14

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-117466803-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2024-01-30 — — CN disclosed
CN-111132976-B Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2023-08-22 — — CN disclosed
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