SCHEMBL9688902

SCHEMBL9688902

CCCCc1nc2ccccc2n1Cc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 12/20 0.75
AGTR1 P30556 11/20 0.75
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL9194373 0.86 AGTR1 (1.00) AGTR2AGTR1
SCHEMBL9197814 0.84 AGTR1 (0.81) AGTR2AGTR1KDM4E
SCHEMBL7054450 0.83 AGTR2 (0.71) AGTR2AGTR1
SCHEMBL1160061 0.78 PPARG (0.47) AGTR2AGTR1ALDH1A1
SCHEMBL7591162 0.77 AGTR2 (0.62) AGTR2AGTR1
SCHEMBL8394993 0.75 AGTR2 (0.76) AGTR2AGTR1
SCHEMBL1159879 0.74 AGTR2 (0.58) AGTR2AGTR1
Hydrochloric Acid SCHEMBL9137606 0.73 AGTR1 (0.61) AGTR2AGTR1
SCHEMBL9687841 0.73 AGTR1 (0.72) AGTR2AGTR1
SCHEMBL8394534 0.72 PPARG (0.77) 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
US-5171748-A For hypertension, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-15 US disclosed