SCHEMBL18784252

SCHEMBL18784252

CNCCOc1cc(CS(=O)(=O)c2ccccc2)ccc1-c1ccoc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
HTR6 P50406 1/20 0.38
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
NAT1 P18440 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HRH1 P35367 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MCL1 Q07820 1/20 0.34
CSNK2A1 P68400 1/20 0.33
HTT P42858 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
SCHEMBL18784242 0.86 CSNK2A1 (0.40) KDM4EHTR6SPHK2SPHK1NAT1
SCHEMBL18784246 0.86 HTR7 (0.43) KDM4EHTR6SPHK1ALDH1A1HRH1
SCHEMBL18784223 0.85 CSNK2A1 (0.39) HTR6SPHK2SPHK1NAT1LMNA
SCHEMBL18784214 0.82 CSNK2A1 (0.36) KDM4ESPHK2SPHK1NAT1GAA
SCHEMBL1647731 0.77 METAP2 (0.42) KDM4EHTR6HDAC8HDAC6NAT1
SCHEMBL18784213 0.76 SLC6A4 (0.36) HTR6CSNK2A1
SCHEMBL18784228 0.76 CSNK2A1 (0.41) HTR6MCL1CSNK2A1
Hydrochloric Acid SCHEMBL1650055 0.76 METAP2 (0.41) KDM4EHTR6HDAC8HDAC6NAT1
SCHEMBL18784233 0.74 BRD4 (0.41) KDM4ELMNAALDH1A1GAATDP1
SCHEMBL18784244 0.74 CSNK2A1 (0.40) HTR6HDAC6NAT1LMNAALDH1A1

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 claimed