SCHEMBL4637384

SCHEMBL4637384

CC(=O)Oc1cc(Oc2ccc(S(=O)(=O)Cc3ccc(F)cc3)cc2F)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
POLB P06746 2/20 0.35
SCN9A Q15858 1/20 0.35
EPAS1 Q99814 4/20 0.35
SLC22A12 Q96S37 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
MET P08581 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
FFAR1 O14842 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL27746551 0.88 PTGDR2 (0.42) BRD4POLB
SCHEMBL883916 0.87 MAPT (0.44) POLBSCN9AEPAS1SLC22A12LMNA
SCHEMBL883838 0.84 NR3C1 (0.42) EPAS1
SCHEMBL586221 0.75 SCN9A (0.34) BRD4SCN9AEPAS1SLC22A12
SCHEMBL883887 0.75 FFAR1 (0.45) EPAS1FFAR1
SCHEMBL12776396 0.74 EPAS1 (0.41) EPAS1FFAR1
SCHEMBL883834 0.74 PTGDR2 (0.45) EPAS1FFAR1
SCHEMBL586177 0.73 EGFR (0.40) SCN9AEPAS1FFAR1
SCHEMBL883847 0.73 PTGDR2 (0.48) BRD4
SCHEMBL883915 0.73 NR3C1 (0.42) EPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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