SCHEMBL9873248

SCHEMBL9873248

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

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.42
AGTR2 P50052 8/20 0.42
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL9874581 0.87 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9873969 0.86 AGTR2 (0.35) AGTR1AGTR2
SCHEMBL9873568 0.85 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9872292 0.82 ALDH1A1 (0.41) AGTR1AGTR2KDM4E
SCHEMBL588365 0.78 AGTR1 (0.41) AGTR1AGTR2KDM4E
SCHEMBL9873823 0.78 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9871103 0.77 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9851478 0.77 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9402002 0.77 ALDH1A1 (0.49) AGTR1AGTR2
SCHEMBL9873284 0.76 PPARG (0.53) AGTR1AGTR2

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