SCHEMBL27804136

SCHEMBL27804136

CCc1ccc(C(C=O)CBr)s1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WRN Q14191 1/20 0.37
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL27752188 0.83 WRN (0.40) WRNMAPTTP53SMN1; SMN2THRB
SCHEMBL27586775 0.79 ALOX5 (0.37) MAPTSMN1; SMN2THRBALDH1A1HPGD
SCHEMBL27716081 0.78 WRN (0.40) WRNMAPTTP53SMN1; SMN2THRB
SCHEMBL27708206 0.77 GSK3B (0.36) WRN
SCHEMBL27752111 0.75 GABBR2 (0.39) WRN
SCHEMBL27708354 0.75 WRN (0.31) WRN
SCHEMBL27804135 0.74 HPGD (0.41) WRNMAPTTP53SMN1; SMN2THRB
SCHEMBL27593353 0.70 NPSR1 (0.43) MAPTTP53SMN1; SMN2ALDH1A1HPGD
SCHEMBL2737323 0.69 WRN (0.41) WRNMAPTTP53SMN1; SMN2THRB
SCHEMBL14507024 0.66 WRN (0.42) WRNMAPTTP53SMN1; SMN2THRB

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
CN-101679388-A Novel 4-heteroaryl-imidazole-2-thiones used as tyrosinase inhibitors, method for preparing same and use thereof in human medicine and cosmetology GALDERMA RES & DEV 2010-03-24 CN disclosed