SCHEMBL9753971

SCHEMBL9753971

CCCCc1noc(C(=O)NS(=O)(=O)C(C)C)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL9527711 0.92 PPARG (0.33) PPARG
SCHEMBL9527727 0.89 AGTR2 (0.41)
SCHEMBL9530351 0.88 SLC33A1 (0.38)
SCHEMBL9527188 0.86
SCHEMBL9526534 0.85
SCHEMBL9525332 0.82 AGTR2 (0.38)
SCHEMBL9526362 0.82 AGTR1 (0.44)
SCHEMBL9530374 0.81
SCHEMBL9526753 0.80
SCHEMBL9527525 0.77 AGTR1 (0.38)

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
WO-1991015479-A1 SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES MERCK & CO., INC. (US) 1991-10-17 WO claimed
WO-1991015479-A1 SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES MERCK & CO., INC. (US) 1991-10-17 WO disclosed