SCHEMBL18801435

SCHEMBL18801435

CCOC(=O)c1c(CSc2ccccc2)ccc(Br)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALOX5 P09917 1/20 0.51
GAA P10253 7/20 0.51
MLNR O43193 1/20 0.51
NR1I2 O75469 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
SLC6A2 P23975 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
ADORA2A P29274 1/20 0.51
SLC6A4 P31645 1/20 0.51
PTGS2 P35354 1/20 0.51
HRH1 P35367 1/20 0.51
DRD3 P35462 1/20 0.51
SLC6A3 Q01959 1/20 0.51
PDE4D Q08499 1/20 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
SCHEMBL18801363 0.87 L3MBTL1 (0.47) MEN1KMT2AALOX5GAAMLNR
SCHEMBL1648072 0.85 MAPT (0.47) MEN1KMT2AALOX5GAAMLNR
SCHEMBL1647924 0.79 LMNA (0.47) MEN1KMT2AALOX5GAAMLNR
SCHEMBL18801179 0.78 LMNA (0.45) MEN1KMT2AALOX5GAAMLNR
SCHEMBL18801320 0.78 LMNA (0.47) MEN1KMT2AALOX5GAAMLNR
SCHEMBL1649989 0.77 MAPK1 (0.52) MEN1KMT2AGAAMAPTMAPK1
SCHEMBL18801332 0.76 L3MBTL1 (0.52) MEN1KMT2AALOX5MAPTRECQL
SCHEMBL18801099 0.74 ALOX5 (0.48) MEN1KMT2AALOX5GAAMLNR
SCHEMBL7278764 0.73 ALDH1A1 (0.43) MEN1KMT2AALOX5GAAMAPT
SCHEMBL1648194 0.73 L3MBTL1 (0.46) MEN1KMT2AALOX5MAPTRECQL

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
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed