SCHEMBL9873943

SCHEMBL9873943

CCCCc1nc2c(n1Cc1ccc(-c3ccccc3C(=O)O)cc1)C(=S)N=NC2=S

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.68
AGTR2 P50052 3/20 0.68
PPARG P37231 3/20 0.65

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
SCHEMBL9874561 0.86 PPARG (0.51) AGTR1AGTR2PPARG
SCHEMBL9873284 0.84 PPARG (0.53) AGTR1AGTR2PPARG
SCHEMBL9007514 0.84 AGTR1 (0.69) AGTR1AGTR2PPARG
SCHEMBL9007500 0.83 AGTR1 (0.68) AGTR1AGTR2PPARG
SCHEMBL9007478 0.82 AGTR1 (0.67) AGTR1AGTR2PPARG
SCHEMBL9874912 0.82 PPARG (0.50) AGTR1AGTR2PPARG
SCHEMBL9007531 0.81 AGTR2 (0.66) AGTR1AGTR2PPARG
SCHEMBL7021447 0.81 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL9007499 0.81 AGTR1 (0.65) AGTR1AGTR2PPARG
SCHEMBL9007559 0.81 AGTR1 (0.65) AGTR1AGTR2PPARG

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