SCHEMBL11035593

SCHEMBL11035593

CC(c1ccccc1)N(C)C(=O)SCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.49
GAA P10253 1/20 0.43
ALOX5 P09917 2/20 0.42
BCHE P06276 4/20 0.42
ACHE P22303 4/20 0.42
NPY2R P49146 1/20 0.40
IDO1 P14902 2/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
LIMK2 P53671 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11033914 0.84 MTOR (0.51) MTORGAAALOX5BCHEACHE
SCHEMBL5965377 0.84 IDO1 (0.42) GAAIDO1NOS3NOS1NOS2
S-Benzyl Dimethylcarbamothioate SCHEMBL7243244 0.78 IDO1 (0.48) GAAIDO1NOS3NOS1NOS2
SCHEMBL11859462 0.77 KMT2A (0.45) IDO1NOS3NOS1NOS2L3MBTL1
SCHEMBL19481391 0.75 MTOR (0.56) MTORGAAALOX5LIMK2
SCHEMBL12846093 0.75 MTOR (0.56) MTORGAAALOX5LIMK2
SCHEMBL11868111 0.74 ALDH1A1 (0.50) IDO1NOS3NOS1NOS2L3MBTL1
Benzene SCHEMBL28986126 0.74 MTOR (0.62) MTORGAAALOX5LIMK2
SCHEMBL1520362 0.74 MTOR (0.62) MTORGAAALOX5LIMK2
SCHEMBL65715 0.73 IDO1 (0.41) IDO1NOS3NOS1NOS2L3MBTL1

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
JP-59144752-A None JP disclosed
JP-S59144752-A BENZYLTHIOLCARBAMATE DERIVATIVE, ITS PREPARATION AND HERBICIDE CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT SUMITOMO CHEM CO LTD 1984-08-18 JP disclosed