SCHEMBL4637574

SCHEMBL4637574

N#Cc1cc(S(=O)(=O)c2ccccc2)ccc1Oc1c[c]cc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 4/20 0.51
VEGFA P15692 1/20 0.49
SCN9A Q15858 6/20 0.45
SLC22A12 Q96S37 9/20 0.44
PLA2G7 Q13093 1/20 0.43

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
SCHEMBL4637490 0.85 EPAS1 (0.43) EPAS1SCN9A
SCHEMBL4637470 0.83 SCN9A (0.39) EPAS1VEGFASCN9A
SCHEMBL4639089 0.82 EPAS1 (0.55) EPAS1VEGFASLC22A12PLA2G7
SCHEMBL4638321 0.80 PLA2G7 (0.40) EPAS1VEGFASCN9APLA2G7
SCHEMBL2066119 0.79 PTGDR2 (0.52) EPAS1VEGFASCN9ASLC22A12PLA2G7
SCHEMBL11121243 0.77 HTR6 (0.52) SCN9A
SCHEMBL4638348 0.75 EPAS1 (0.39) EPAS1VEGFASCN9ASLC22A12
SCHEMBL14490822 0.74 EPAS1 (0.44) EPAS1VEGFASCN9ASLC22A12PLA2G7
SCHEMBL586179 0.74 EPAS1 (0.44) EPAS1VEGFASCN9ASLC22A12
SCHEMBL4194000 0.73 ACLY (0.51) SLC22A12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP claimed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO claimed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed