SCHEMBL10163633

SCHEMBL10163633

C=NN/C(Cc1cc(Cl)cc(Oc2ccc(S(=O)(=O)CC)cc2Cl)c1)=N\N

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.42
EPAS1 Q99814 5/20 0.39
PTGDR Q13258 1/20 0.37
MAPK1 P28482 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
SCHEMBL10163038 0.87 EPAS1 (0.42) PTGDR2EPAS1
SCHEMBL1650643 0.84 PTGDR2 (0.46) PTGDR2EPAS1PTGDR
SCHEMBL2065952 0.81 PTGDR2 (0.55) PTGDR2EPAS1PTGDR
SCHEMBL585797 0.79 PTGDR2 (0.45) PTGDR2EPAS1PTGDR
SCHEMBL586217 0.77 PTGDR2 (0.44) PTGDR2EPAS1PTGDR
SCHEMBL585344 0.75 PTGDR2 (0.42) PTGDR2EPAS1PTGDR
SCHEMBL1651360 0.75 EPAS1 (0.49) PTGDR2EPAS1
SCHEMBL14490991 0.75 EPAS1 (0.47) PTGDR2EPAS1PTGDR
SCHEMBL1652886 0.75 EPAS1 (0.45) PTGDR2EPAS1
SCHEMBL4792091 0.73 PTGDR2 (0.43) PTGDR2EPAS1PTGDR

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
EP-1963259-B1 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-02-15 EP disclosed