SCHEMBL4637463

SCHEMBL4637463

CS(=O)(=O)c1ccc(Oc2c[c]ccc2Cl)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.42
SCN9A Q15858 4/20 0.38
PLA2G7 Q13093 4/20 0.38
EPAS1 Q99814 4/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
NR1H3 Q13133 1/20 0.36
CCR2 P41597 1/20 0.36
BRAF P15056 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
SCHEMBL4638189 0.77 EPAS1 (0.39) PLA2G7EPAS1ALOX5APFEN1NR1H3
SCHEMBL3924227 0.76 HTR2A (0.46) ARSCN9AEPAS1HTR2ASLC6A4
SCHEMBL4637450 0.75 PTGS2 (0.42) SCN9AEPAS1SLC6A4
SCHEMBL3924231 0.75 AR (0.46) ARSCN9AHTR2ASLC6A4KCNH2
SCHEMBL2065273 0.74 SCN9A (0.43) SCN9APLA2G7BRAF
SCHEMBL1692003 0.72 SLC6A4 (0.42) ARHTR2ASLC6A4KCNH2
SCHEMBL1960234 0.71 KIF11 (0.36) NR1H3CCR2
SCHEMBL4638438 0.71 PTGDR2 (0.45) NR1H3CCR2
SCHEMBL1331610 0.69 PTGDR2 (0.51)
SCHEMBL10606643 0.69 AR (0.46) AREPAS1HTR2ASLC6A4KCNH2

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