SCHEMBL9687841

SCHEMBL9687841

CCCCc1nc2ccccc2n1Cc1ccc(C(=O)NS(C)(=O)=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.72
AGTR2 P50052 7/20 0.72
HDAC1 Q13547 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
PPARG P37231 4/20 0.59
TP53 P04637 1/20 0.55

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
SCHEMBL7054450 0.89 AGTR2 (0.71) AGTR1AGTR2HDAC1HDAC6PPARG
SCHEMBL8396220 0.88 AGTR1 (0.77) AGTR1AGTR2PPARG
SCHEMBL9197851 0.87 AGTR2 (0.64) AGTR1AGTR2HDAC1HDAC6PPARG
SCHEMBL8396783 0.85 PPARG (0.78) AGTR1AGTR2PPARG
SCHEMBL9123025 0.84 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL9275378 0.83 AGTR1 (0.78) AGTR1AGTR2PPARG
SCHEMBL8395681 0.82 PPARG (0.76) AGTR1AGTR2PPARG
SCHEMBL10443404 0.81 AGTR1 (0.63) AGTR1AGTR2PPARG
SCHEMBL9087920 0.80 AGTR1 (0.76) AGTR1AGTR2PPARG
SCHEMBL9197881 0.80 AGTR1 (1.00) 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
US-5171748-A For hypertension, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-15 US disclosed