SCHEMBL9251248

SCHEMBL9251248

CCCc1nc2nnc(S)n2c(O)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
ESR2 Q92731 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
SCHEMBL7310723 0.91 PPARG (0.45) PPARGESR2
SCHEMBL9250971 0.85 PPARG (0.46) PPARGESR2
SCHEMBL7308530 0.82 PPARG (0.44) PPARGESR2
SCHEMBL7313334 0.82 PPARG (0.44) PPARGESR2
SCHEMBL9258137 0.81 PPARG (0.45) PPARG
Hydrochloric Acid SCHEMBL7322883 0.80 PPARG (0.44) PPARG
Hydrochloric Acid SCHEMBL9251001 0.80 PPARG (0.44) PPARG
SCHEMBL9254550 0.80 PPARG (0.43) PPARGESR2
SCHEMBL9253637 0.80 PPARG (0.43) PPARGESR2
SCHEMBL8312740 0.79 PPARG (0.48) PPARGESR2

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-5387747-A Used in the treatment and prevention of cardiovascular diseases: hypertension, cardiac insufficiency and atherosclerosis LABORATOIRES UPSA (FR) 1995-02-07 US disclosed