SCHEMBL13639465

SCHEMBL13639465

COc1cc(Cl)ccc1CCS(=O)(=O)Nc1cc(N)ccc1N

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 15/20 0.67
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
PYGL P06737 1/20 0.38
HSD17B2 P37059 1/20 0.38

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
SCHEMBL13639463 0.91 PTGES2 (0.71) PTGES2GAAMAPTTSHRMAPK1
SCHEMBL13061991 0.88 PTGES2 (0.88) PTGES2
SCHEMBL3784257 0.81 PTGES2 (1.00) PTGES2
SCHEMBL3782599 0.81 PTGES2 (1.00) PTGES2
SCHEMBL3782831 0.79 PTGES2 (1.00) PTGES2
SCHEMBL3782425 0.77 PTGES2 (1.00) PTGES2
SCHEMBL3778531 0.77 PTGES2 (1.00) PTGES2
SCHEMBL3777731 0.75 PTGES2 (1.00) PTGES2
SCHEMBL3777915 0.75 PTGES2 (1.00) PTGES2
SCHEMBL3777997 0.75 PTGES2 (1.00) 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