SCHEMBL10079574

SCHEMBL10079574

Cc1c(Br)cccc1SC(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 1/20 0.34
MAP2K7 O14733 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
HTR7 P34969 1/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL2911430 0.80 MAOA (0.52) MAOAMAOBALDH1A1MAP2K7CDC25A
SCHEMBL943718 0.78 ALDH1A1 (0.40) MAOAMAOBALDH1A1HTR7LMNA
SCHEMBL2783311 0.76 ALDH1A1 (0.39) MAOAMAOBALDH1A1HTR7LMNA
SCHEMBL24603806 0.75 CYP2C9 (0.36) ALDH1A1MAP2K7CDC25ACDC25B
SCHEMBL18674226 0.75 ALDH1A1 (0.43) ALDH1A1MAP2K7CDC25ACDC25BLMNA
SCHEMBL30548758 0.71 MAP2K7 (0.41) MAOAMAOBALDH1A1MAP2K7CDC25A
SCHEMBL108973 0.71
SCHEMBL200411 0.70 MAP2K7 (0.42) ALDH1A1MAP2K7CDC25ACDC25B
SCHEMBL30127961 0.69 MAOA (0.31) MAOAMAOB
SCHEMBL200412 0.69 GABRA1 (0.43) ALDH1A1MAP2K7CDC25ACDC25BLMNA

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
WO-2012084678-A1 NOVEL IMIDAZOLES USEFUL AS PLANT FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-06-28 WO disclosed