SCHEMBL4637515

SCHEMBL4637515

CS(=O)(=O)c1ccc(Oc2c[c]cc(F)c2)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 11/20 0.45
SLC6A4 P31645 1/20 0.40
KIF11 P52732 1/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
BRD4 O60885 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
VEGFA P15692 1/20 0.35

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
SCHEMBL4638324 0.78 KIF11 (0.43) EPAS1KIF11ALOX5APFEN1BRD4
SCHEMBL2067362 0.75 NR3C1 (0.50) EPAS1PTGS2
SCHEMBL10884180 0.74 EPAS1 (0.46) EPAS1KIF11ALOX5APFEN1NR1H2
SCHEMBL4638189 0.74 EPAS1 (0.39) EPAS1KIF11ALOX5APFEN1NR1H2
SCHEMBL4637544 0.73 EPAS1 (0.55) EPAS1NR1H2NR1H3BRD4PTGS2
SCHEMBL4637444 0.73 EPAS1 (0.53) EPAS1SLC6A4BRD4PTGS2PTGS1
SCHEMBL16555665 0.72 EPAS1 (0.67) EPAS1VEGFA
SCHEMBL4638321 0.72 PLA2G7 (0.40) EPAS1VEGFA
SCHEMBL1460007 0.71 KIF11 (0.45) EPAS1KIF11ALOX5APFEN1NR1H2
SCHEMBL5831491 0.71 SLC6A4 (0.41) EPAS1SLC6A4KIF11ALOX5APFEN1

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