SCHEMBL9258137

SCHEMBL9258137

CCCc1nc2nc(C)nn2c(O)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
SLC33A1 O00400 1/20 0.41

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
Hydrochloric Acid SCHEMBL9251001 0.99 PPARG (0.44) PPARGSLC33A1
Hydrochloric Acid SCHEMBL7322883 0.99 PPARG (0.44) PPARGSLC33A1
SCHEMBL9253637 0.91 PPARG (0.43) PPARG
SCHEMBL9254550 0.91 PPARG (0.43) PPARG
SCHEMBL9256421 0.88 PPARG (0.42) PPARG
SCHEMBL7313334 0.86 PPARG (0.44) PPARGSLC33A1
SCHEMBL9262547 0.85 PPARG (0.44) PPARG
SCHEMBL9254593 0.85 PPARG (0.47) PPARGSLC33A1
SCHEMBL9308991 0.84
SCHEMBL9262393 0.84 PPARG (0.45) PPARG

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