SCHEMBL18784246

SCHEMBL18784246

CN(C)CCOc1cc(CS(=O)(=O)c2ccccc2)ccc1-c1ccoc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN1 P18031 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
LTA4H P09960 1/20 0.35
HTR6 P50406 1/20 0.35
GBA1 P04062 1/20 0.34
HRH1 P35367 1/20 0.34
CSNK2A1 P68400 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) KDM4ESMN1; SMN2SPHK1HTR6CSNK2A1
SCHEMBL18784252 0.86 KDM4E (0.41) ALDH1A1KDM4ESPHK1HTR6HRH1
SCHEMBL18784223 0.85 CSNK2A1 (0.39) SMN1; SMN2SPHK1HTR6CSNK2A1
SCHEMBL18784214 0.82 CSNK2A1 (0.36) KDM4ESPHK1CSNK2A1
SCHEMBL18784248 0.78 HTR7 (0.38) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL18784213 0.76 SLC6A4 (0.36) HTR6CSNK2A1
SCHEMBL18784228 0.76 CSNK2A1 (0.41) HTR7DRD2HTR6CSNK2A1
Hydrochloric Acid SCHEMBL1647980 0.76 METAP2 (0.42) HTR7ALDH1A1KDM4ESMN1; SMN2GBA1
SCHEMBL18784233 0.74 BRD4 (0.41) ALDH1A1KDM4ESMN1; SMN2CSNK2A1
SCHEMBL1648648 0.73 ALDH1A1 (0.35) ALDH1A1KDM4ESMN1; SMN2GBA1HRH1

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