SCHEMBL9874912

SCHEMBL9874912

CC(C)c1nc2c(n1Cc1ccc(-c3ccccc3C(=O)O)cc1)C(=S)N=NC2=S

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.50
AGTR1 P30556 1/20 0.48
AGTR2 P50052 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
SCHEMBL9873284 0.87 PPARG (0.53) PPARGAGTR1AGTR2
SCHEMBL9874561 0.82 PPARG (0.51) PPARGAGTR1AGTR2
SCHEMBL9873943 0.82 AGTR1 (0.68) PPARGAGTR1AGTR2
SCHEMBL8395925 0.80 PPARG (0.69) PPARGAGTR1AGTR2
SCHEMBL9872350 0.79 AGTR1 (0.53) PPARGAGTR1AGTR2
SCHEMBL9874581 0.78 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9872679 0.78 AGTR1 (0.68) PPARGAGTR1AGTR2
SCHEMBL9873295 0.76 PPARG (0.48) PPARG
SCHEMBL9873021 0.75 AGTR1 (0.51) PPARGAGTR1AGTR2
SCHEMBL9873994 0.75 PPARG (0.48) PPARGAGTR1AGTR2

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