SCHEMBL9874561

SCHEMBL9874561

CC(C)(C)Cc1nc2c(n1Cc1ccc(-c3ccccc3C(=O)O)cc1)C(=S)N=NC2=S

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.51
AGTR1 P30556 1/20 0.49
AGTR2 P50052 1/20 0.49
BRS3 P32247 1/20 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
SCHEMBL9873943 0.86 AGTR1 (0.68) PPARGAGTR1AGTR2
SCHEMBL9873284 0.85 PPARG (0.53) PPARGAGTR1AGTR2
SCHEMBL9874912 0.82 PPARG (0.50) PPARGAGTR1AGTR2
SCHEMBL9872113 0.78 AGTR1 (0.74) PPARGAGTR1AGTR2
SCHEMBL9872350 0.77 AGTR1 (0.53) PPARGAGTR1AGTR2BRS3
SCHEMBL9873197 0.77 PPARG (0.50) PPARG
SCHEMBL8391777 0.76 PPARG (0.64) PPARGAGTR1AGTR2
SCHEMBL9873192 0.76 PPARG (0.51) PPARG
SCHEMBL9872978 0.76 PPARG (0.53) PPARGAGTR1AGTR2
SCHEMBL9873732 0.76 PPARG (0.53) 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