SCHEMBL17048014

SCHEMBL17048014

Cc1cccc(OS(=O)(=O)C(F)(F)F)c1[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.39
DRD3 P35462 9/20 0.39
HTR1D P28221 2/20 0.39
DRD4 P21917 7/20 0.39
DRD1 P21728 5/20 0.37
DRD5 P21918 5/20 0.37
HTR5A P47898 1/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
ESR1 P03372 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR2 Q92731 1/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL30706241 0.90 DRD2 (0.42) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL28987318 0.84 DRD2 (0.39) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL4527853 0.84 DRD2 (0.39) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL31017490 0.84 DRD2 (0.39) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL6934553 0.83 MAPT (0.43) DRD2DRD3HTR1DDRD4DRD1
Hydrogen Sulfide SCHEMBL27838727 0.82 MAPT (0.42) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL15565904 0.81 DRD2 (0.32) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL30665126 0.80 DRD2 (0.42) DRD2DRD3HTR1DDRD4DRD1
SCHEMBL2984151 0.80 DRD2 (0.42) DRD2DRD3HTR1DDRD4DRD1
Hydrogen Sulfide SCHEMBL28795253 0.78 DRD2 (0.41) DRD2DRD3HTR1DDRD4DRD1

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
WO-2015128878-A1 NOVEL BENZOXAPHOSPHOLE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-09-03 WO claimed