SCHEMBL9874581

SCHEMBL9874581

CC(C)c1nc2c(n1Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C(=S)N=NC2=S

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.33
AGTR2 P50052 6/20 0.33
USP1 O94782 3/20 0.33
GRM2 Q14416 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL9873248 0.87 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9873969 0.83 AGTR2 (0.35) AGTR1AGTR2
SCHEMBL9873568 0.83 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9872292 0.80 ALDH1A1 (0.41) AGTR1AGTR2GRM2
SCHEMBL9872330 0.79 AGTR1 (0.42) AGTR1AGTR2USP1GRM2HDAC1
SCHEMBL9874912 0.78 PPARG (0.50) AGTR1AGTR2
SCHEMBL9874034 0.77 AGTR2 (0.37) AGTR1AGTR2
SCHEMBL9873122 0.77 AGTR1 (0.35) AGTR1AGTR2USP1
SCHEMBL9873834 0.77 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9873118 0.77 PPARG (0.35) 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