SCHEMBL7054450

SCHEMBL7054450

CCCCc1nc2ccccc2n1Cc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 10/20 0.71
AGTR1 P30556 8/20 0.71
HDAC1 Q13547 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
PPARG P37231 4/20 0.58
MAPT P10636 1/20 0.54

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
SCHEMBL9687841 0.89 AGTR1 (0.72) AGTR2AGTR1HDAC1HDAC6PPARG
SCHEMBL8394993 0.89 AGTR2 (0.76) AGTR2AGTR1PPARG
SCHEMBL7591162 0.88 AGTR2 (0.62) AGTR2AGTR1PPARG
SCHEMBL9197851 0.88 AGTR2 (0.64) AGTR2AGTR1HDAC1HDAC6PPARG
SCHEMBL8394534 0.86 PPARG (0.77) AGTR2AGTR1PPARG
SCHEMBL1159879 0.85 AGTR2 (0.58) AGTR2AGTR1PPARG
SCHEMBL9123025 0.83 AGTR1 (1.00) AGTR2AGTR1PPARG
SCHEMBL8395738 0.83 PPARG (0.75) AGTR2AGTR1PPARG
SCHEMBL9688902 0.83 AGTR2 (0.75) AGTR2AGTR1
SCHEMBL1160112 0.82 PPARG (0.61) AGTR2AGTR1PPARG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399732-B1 Benzimidazole derivatives ZENECA LTD (GB) 1995-07-26 EP claimed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP claimed
EP-0724387-B1 ANGIOTENSION II RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CHRONIC ANTI-INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-5171748-A For hypertension, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-15 US disclosed