SCHEMBL3839489

SCHEMBL3839489

O=CN1CCOC(c2cc3cc(Cl)ccc3n2S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.47
PPARA Q07869 8/20 0.47
PPARD Q03181 7/20 0.47
ACLY P53396 8/20 0.39
HTR6 P50406 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
SCHEMBL3562156 0.69 PPARG (0.61) PPARGPPARAPPARDACLYHTR6
SCHEMBL2930588 0.69 PTGS1 (0.38) PPARGPPARAPPARDHTR6
SCHEMBL17422757 0.68 PPARG (0.60) PPARGPPARAPPARDACLY
SCHEMBL3555924 0.67 ACLY (0.66) PPARGPPARAPPARDACLY
SCHEMBL739191 0.67 PPARG (0.58) PPARGPPARAPPARDACLY
SCHEMBL6774913 0.67 PPARG (0.58) PPARGPPARAPPARDACLY
SCHEMBL6767107 0.67 PPARG (0.55) PPARGPPARAPPARDACLY
SCHEMBL27713311 0.67 PPARG (0.58) PPARGPPARAPPARDACLY
SCHEMBL16486237 0.66 PPARG (0.71) PPARGPPARAPPARDACLY
SCHEMBL741459 0.66 ACLY (0.64) PPARGPPARAPPARDACLY

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-1791537-B1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMA INC (US) 2009-10-14 EP claimed