SCHEMBL9873969

SCHEMBL9873969

CC(C)(C)Cc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C(=S)N=NC2=S

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 12/20 0.35
AGTR1 P30556 11/20 0.35

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
SCHEMBL9873568 0.86 AGTR1 (0.49) AGTR2AGTR1
SCHEMBL9873248 0.86 AGTR1 (0.42) AGTR2AGTR1
SCHEMBL9874581 0.83 AGTR1 (0.33) AGTR2AGTR1
SCHEMBL9874393 0.80 AGTR1 (0.47) AGTR2AGTR1
SCHEMBL9872292 0.79 ALDH1A1 (0.41) AGTR2AGTR1
SCHEMBL9874561 0.79 PPARG (0.51) AGTR2AGTR1
SCHEMBL9873127 0.78 AGTR2 (0.38) AGTR2AGTR1
SCHEMBL9874500 0.78 AGTR1 (0.38) AGTR2AGTR1
SCHEMBL9873002 0.78 AGTR1 (0.38) AGTR2AGTR1
SCHEMBL9872051 0.77 AGTR1 (0.38) AGTR2AGTR1

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