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Sugi Predict / Compounds / 2-Acetylaminofluorene

2-Acetylaminofluorene

2-Acetylaminofluorene

SCHEMBL7516145

CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2.CCOS(C)(=O)=O

nearest known ligand 0.72

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.72
▸ MAOA P21397 2/20 0.72
▸ ADRA2A P08913 1/20 0.72
▸ SLC6A2 P23975 1/20 0.72
▸ HTR2C P28335 1/20 0.72
▸ SLC6A4 P31645 1/20 0.72
▸ HTR2B P41595 1/20 0.72
▸ RAB9A P51151 6/20 0.59
▸ NPC1 O15118 4/20 0.59
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ MAPT P10636 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MAPK1 P28482 2/20 0.51

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
2-Acetylaminofluorene SCHEMBL29364009 0.85 CYP1A2 (1.00) CYP1A2MAOAADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL21114365 0.85 CYP1A2 (1.00) CYP1A2MAOAADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL29829339 0.85 CYP1A2 (1.00) CYP1A2MAOAADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL75140 0.85 CYP1A2 (1.00) CYP1A2MAOAADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL6903872 0.84 CYP1A2 (0.97) CYP1A2MAOAADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL5663545 0.80 CYP1A2 (0.89) CYP1A2MAOAADRA2ASLC6A2HTR2C
SCHEMBL28178463 0.79 CYP1A2 (0.88) CYP1A2MAOAADRA2ASLC6A2HTR2C
SCHEMBL2962505 0.78 MAOA (0.84) CYP1A2MAOAADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL28211586 0.78 CYP1A2 (0.74) CYP1A2MAOAADRA2ASLC6A2HTR2C
2-Acetylaminofluorene SCHEMBL20771371 0.77 CYP1A2 (0.82) CYP1A2MAOAADRA2ASLC6A2HTR2C

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
WO-2001032928-A9 METHODS OF DETERMINING INDIVIDUAL HYPERSENSITIVITY TO AN AGENT PHASE 1 MOLECULAR TOXICOLOGY (US) 2002-05-16 — — WO disclosed
WO-2001032928-A2 METHODS OF DETERMINING INDIVIDUAL HYPERSENSITIVITY TO AN AGENT PHASE-1 MOLECULAR TOXICOLOGY (US) 2001-05-10 — — WO disclosed