SCHEMBL9197851

SCHEMBL9197851

CCCCc1nc2ccccc2n1Cc1ccc(C(=O)NS(=O)(=O)c2ccccc2C)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 8/20 0.64
AGTR1 P30556 7/20 0.64
HDAC1 Q13547 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
EDNRA P25101 1/20 0.54
PPARG P37231 1/20 0.53

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 0.88 AGTR2 (0.71) AGTR2AGTR1HDAC1HDAC6PPARG
SCHEMBL9687841 0.87 AGTR1 (0.72) AGTR2AGTR1HDAC1HDAC6PPARG
SCHEMBL9123025 0.79 AGTR1 (1.00) AGTR2AGTR1PPARG
SCHEMBL9275378 0.78 AGTR1 (0.78) AGTR2AGTR1PPARG
SCHEMBL9087920 0.78 AGTR1 (0.76) AGTR2AGTR1PPARG
SCHEMBL8394993 0.78 AGTR2 (0.76) AGTR2AGTR1PPARG
SCHEMBL7591162 0.77 AGTR2 (0.62) AGTR2AGTR1PPARG
SCHEMBL8396220 0.76 AGTR1 (0.77) AGTR2AGTR1PPARG
SCHEMBL9197881 0.75 AGTR1 (1.00) AGTR2AGTR1PPARG
SCHEMBL8394534 0.75 PPARG (0.77) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399732-B1 Benzimidazole derivatives ZENECA LTD (GB) 1995-07-26 EP claimed
US-5171748-A For hypertension, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-15 US disclosed