SCHEMBL8969870

SCHEMBL8969870

CCCCc1nc(C)c(C(=S)OCC)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.58

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
SCHEMBL8970010 0.95 AGTR2 (0.60) AGTR2
SCHEMBL8971097 0.94 AGTR2 (0.60) AGTR2
SCHEMBL8902745 0.90 AGTR1 (0.57) AGTR2
SCHEMBL8970663 0.90 AGTR2 (0.55) AGTR2
SCHEMBL8901773 0.89 AGTR1 (0.59) AGTR2
SCHEMBL8898998 0.87 AGTR2 (0.69) AGTR2
SCHEMBL8903177 0.87 AGTR1 (0.53) AGTR2
SCHEMBL8969857 0.85 AGTR1 (0.68) AGTR2
SCHEMBL8902817 0.85 AGTR1 (0.59) AGTR2
SCHEMBL8971357 0.85 AGTR2 (0.58) AGTR2

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-5482957-A Azole derivatives, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-09 US disclosed