SCHEMBL9873182

SCHEMBL9873182

Cc1nc2c(SC(C)C)nnc(O)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.48

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
SCHEMBL9874400 0.94 PPARG (0.50) PPARG
SCHEMBL9873349 0.90 PPARG (0.46) PPARG
SCHEMBL9874770 0.90 PPARG (0.50) PPARG
SCHEMBL9871430 0.88 PPARG (0.51) PPARG
SCHEMBL9873956 0.88 PPARG (0.49) PPARG
SCHEMBL9871788 0.88 PPARG (0.52) PPARG
SCHEMBL9871735 0.87 AGTR1 (0.49) PPARG
SCHEMBL9874185 0.87 PPARG (0.47) PPARG
SCHEMBL9874753 0.87 AGTR2 (0.59)
SCHEMBL9872132 0.86 PPARG (0.48) 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
WO-1991019715-A1 1H-SUBSTITUTED-IMIDAZO[4,5-d]PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-26 WO disclosed