SCHEMBL23714717

SCHEMBL23714717

CCC(C)(CC)c1nccc(OS(=O)(=O)C(F)(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
DRD2 P14416 6/20 0.32
DRD3 P35462 6/20 0.32
DRD1 P21728 4/20 0.32
DRD4 P21917 4/20 0.32
DRD5 P21918 4/20 0.32
NUDT1 P36639 1/20 0.31
HTR1D P28221 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL22124736 0.74 PDE4A (0.40) PDE4APDE4CPDE4DCA1CA2
SCHEMBL3946288 0.71 SMN1; SMN2 (0.36) PDE4APDE4CPDE4DDRD2DRD3
SCHEMBL16922264 0.70 PDE4A (0.47) PDE4APDE4CPDE4DCA1CA2
SCHEMBL23705953 0.68 PDE4A (0.34) PDE4APDE4CPDE4D
SCHEMBL6299075 0.67 L3MBTL1 (0.33) PDE4APDE4CPDE4D
SCHEMBL6293194 0.67 L3MBTL1 (0.33) PDE4APDE4CPDE4D
SCHEMBL6299079 0.67 TOP2A (0.36) PDE4APDE4CPDE4DHTR1D
SCHEMBL31049812 0.67 PDE4A (0.39) PDE4APDE4CPDE4DDRD1CA1
SCHEMBL13514274 0.67 LMNA (0.33) PDE4APDE4CPDE4DDRD2DRD3
SCHEMBL17591275 0.67 NUDT1 (0.30) NUDT1

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-2021155320-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed