SCHEMBL5140722

SCHEMBL5140722

CS(=O)(=O)C1CSC(c2ccc(C#N)cc2)O1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIA4 P48058 1/20 0.35
▸ GRIA2 P42262 5/20 0.35
▸ KCNH2 Q12809 3/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ GRIA1 P42261 1/20 0.33
▸ GRIA3 P42263 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ PGR P06401 2/20 0.32
▸ CA1 P00915 3/20 0.31
▸ CA2 P00918 3/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ CA12 O43570 1/20 0.31
▸ NSD2 O96028 1/20 0.31
▸ NSD3 Q9BZ95 1/20 0.31

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
SCHEMBL2084801 0.77 ALDH1A1 (0.35) GRIA4GRIA2KCNH2HTR7CA2
SCHEMBL2085965 0.65 HTR7 (0.35) HTR7CA2CA9CA12
SCHEMBL11689429 0.60 TSHR (0.48) CA1CA2CA9CA12
SCHEMBL13651816 0.60 ALDH1A1 (0.40) KCNH2CA2CA9CA12
SCHEMBL803901 0.59 PTGS2 (0.68) PTGS2CA1CA2CA9CA12
SCHEMBL28935583 0.59 MAOA (0.39) KCNH2CA2CA9CA12
SCHEMBL8950639 0.59 GABRP (0.71) —
SCHEMBL1225841 0.58 TSHR (0.50) CA2CA9CA12
SCHEMBL1226208 0.58 TSHR (0.50) CA2CA9CA12
SCHEMBL1225840 0.58 TSHR (0.50) CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611120-A4 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2008-04-23 — — EP disclosed
EP-1611120-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES Cortical Pty Ltd (AU) 2006-01-04 — — EP disclosed
WO-2004089927-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2004-10-21 — — WO disclosed
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