SCHEMBL5763368

SCHEMBL5763368

COC(=O)CS(=O)(=O)n1c(S)nc2ccc(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.43
MTNR1B P49286 9/20 0.43
DYRK1A Q13627 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PPARG P37231 1/20 0.37

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
SCHEMBL5366597 0.80 MAPK1 (0.48) MTNR1AMTNR1BMAPTALDH1A1
SCHEMBL14387815 0.77 MTNR1A (0.39) MTNR1AMTNR1BDYRK1AMAPT
SCHEMBL5378208 0.73 CXCL8 (0.44) MTNR1AMTNR1BMAPTALDH1A1
SCHEMBL14387883 0.71 MAPK1 (0.48) MAPTALDH1A1
SCHEMBL5362129 0.71 CXCL8 (0.39) MTNR1AMTNR1BMAPTALDH1A1
SCHEMBL14356225 0.69 MAPK1 (0.39) DYRK1AMAPTALDH1A1
SCHEMBL21315649 0.69 MTNR1A (0.77) MTNR1AMTNR1BDYRK1A
SCHEMBL29961848 0.69 MTNR1A (0.77) MTNR1AMTNR1BDYRK1A
SCHEMBL14112985 0.69 PDE3B (0.46) MTNR1AMTNR1BMAPTALDH1A1PPARG
SCHEMBL9148447 0.68 ALDH1A1 (0.43) MTNR1AMTNR1BALDH1A1

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-1556371-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR WINSTON PHARMACEUTICALS LLC (US) 2006-04-19 EP disclosed