SCHEMBL14533641

SCHEMBL14533641

CS(=O)(=O)c1ccc(-c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.56
PTGS1 P23219 2/20 0.51
HSD11B1 P28845 1/20 0.50

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
SCHEMBL12937167 0.83 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL13231655 0.76 KDM4E (0.57)
SCHEMBL12937120 0.73 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6293890 0.73 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6289796 0.73 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL10300269 0.72 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7677302 0.72 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL2602382 0.72 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL2602395 0.72 PTGS2 (0.62) PTGS2
SCHEMBL7212097 0.71 PTGS2 (1.00) PTGS2PTGS1

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
US-20070099025-A1 Organic electroluminescent element, illuminator and display KONICA MINOLTA HOLDINGS, INC. (JP) 2007-05-03 US disclosed