SCHEMBL8410422

SCHEMBL8410422

N#Cc1ccc(N[C]=O)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.37
MAOA P21397 5/20 0.36
MAOB P27338 5/20 0.36
SLC22A12 Q96S37 4/20 0.34
IMPDH2 P12268 1/20 0.34
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
IDO1 P14902 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8410029 0.82 SLC22A12 (0.51) ALDH1A1SLC22A12IDO1
SCHEMBL14919155 0.78 SLC22A12 (0.55) SLC22A12TAS2R14
SCHEMBL546976 0.78 SLC22A12 (0.55) SLC22A12TAS2R14MAPT
SCHEMBL8410428 0.75 ALDH1A1 (0.44) ALDH1A1ABCG2MAOAMAOBSLC22A12
SCHEMBL14046649 0.74 ALDH1A1 (0.46) ALDH1A1ABCG2MAOAMAOBIMPDH2
SCHEMBL10940302 0.74 MAOB (0.46) ALDH1A1ABCG2MAOAMAOBIDO1
SCHEMBL27666141 0.72 ALDH1A1 (0.57) ALDH1A1IMPDH2IDO1
SCHEMBL227354 0.71 CA2 (0.50) ALDH1A1IDO1KDM4EMEN1LMNA
SCHEMBL7789704 0.71 MEN1 (0.32) MEN1LMNAKMT2A
SCHEMBL17227549 0.71 ALDH1A1 (0.40) ALDH1A1ABCG2MAOAMAOBIMPDH2

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
EP-0718277-B1 Method for producing 5-substituted-2-acylaminophenols, and 5-alkyl-2-acylaminophenol compound and N-acyl-N-(4-alkyl-phenyl)hydroxylamine compound FUJI PHOTO FILM CO LTD (JP) 1999-07-21 EP disclosed
EP-0718277-A1 Method for producing 5-substituted-2-acylaminophenols, and 5-alkyl-2-acylaminophenol compound and N-acyl-N-(4-alkyl-phenyl)hydroxylamine compound FUJI PHOTO FILM CO., LTD. (JP) 1996-06-26 EP disclosed