SCHEMBL8944588

SCHEMBL8944588

C#CCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(=O)NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.58
AGTR2 P50052 2/20 0.57
AGTR1 P30556 1/20 0.57

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
SCHEMBL8392509 0.89 PPARG (0.60) PPARGAGTR2AGTR1
SCHEMBL8395738 0.88 PPARG (0.75) PPARGAGTR2AGTR1
SCHEMBL8396607 0.87 PPARG (0.76) PPARGAGTR2AGTR1
SCHEMBL8392569 0.87 PPARG (0.55) PPARGAGTR2AGTR1
SCHEMBL8394993 0.87 AGTR2 (0.76) PPARGAGTR2AGTR1
SCHEMBL8394534 0.86 PPARG (0.77) PPARGAGTR2AGTR1
SCHEMBL8391959 0.85 PPARG (0.59) PPARGAGTR2AGTR1
SCHEMBL8396233 0.84 PPARG (0.58) PPARGAGTR2AGTR1
SCHEMBL8396829 0.80 PPARG (0.59) PPARGAGTR2AGTR1
SCHEMBL8395361 0.78 AGTR2 (0.75) PPARGAGTR2AGTR1

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-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed