SCHEMBL13639451

SCHEMBL13639451

CC(C)(C)C#Cc1ccc(CCS(=O)(=O)Nc2ccccc2N)cc1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 20/20 0.77

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
SCHEMBL13768483 0.91 PTGES2 (0.78) PTGES2
SCHEMBL3785096 0.87 PTGES2 (1.00) PTGES2
SCHEMBL7897575 0.79 PTGES2 (0.68) PTGES2
SCHEMBL3783331 0.78 PTGES2 (1.00) PTGES2
SCHEMBL3778266 0.78 PTGES2 (1.00) PTGES2
SCHEMBL3787265 0.77 PTGES2 (1.00) PTGES2
SCHEMBL3777265 0.77 PTGES2 (1.00) PTGES2
SCHEMBL3787773 0.71 PTGES2 (1.00) PTGES2
SCHEMBL13639447 0.71 PTGES2 (0.76) PTGES2
SCHEMBL13768256 0.69 PTGES2 (0.50) PTGES2

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-2234993-B1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2012-11-07 EP disclosed
WO-2009082347-A1 BIS- (SULF ONYLAMINO) DERIVATIVES FOR USE IN THERAPY ASTRAZENECA AB (SE) 2009-07-02 WO disclosed