SCHEMBL28030776

SCHEMBL28030776

N#Cc1cc[c]cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 4/20 0.33
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
SLC22A12 Q96S37 2/20 0.32
ESR2 Q92731 1/20 0.31
DRD2 P14416 2/20 0.30
HTR1D P28221 2/20 0.30
DRD3 P35462 2/20 0.30
PGR P06401 1/20 0.30

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
SCHEMBL8034327 0.83 DRD2 (0.33) ESR2DRD2HTR1DDRD3
SCHEMBL4443907 0.80 SLC22A12 (0.40) SLC22A12DRD2DRD3
SCHEMBL28030734 0.80 ALDH1A1 (0.31)
SCHEMBL27941886 0.80 HTR1A (0.31) HTR1D
SCHEMBL5366474 0.80 CXCR2 (0.33) DRD2HTR1DDRD3
SCHEMBL1180592 0.76 SLC22A12 (0.34) SLC22A12
SCHEMBL3958603 0.75 EPAS1 (0.41) EPAS1SLC22A12PGR
SCHEMBL8024737 0.75 CA2 (0.31)
SCHEMBL3627292 0.74 EPAS1 (0.38) EPAS1PDE4APDE4CPDE4DSLC22A12
SCHEMBL5728291 0.73 EPAS1 (0.45) EPAS1PDE4APDE4CPDE4DSLC22A12

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-105008378-A Reaction catalyst for cross coupling and method for manufacturing aromatic compound HOKKO CHEM IND CO 2015-10-28 CN disclosed