SCHEMBL8944661

SCHEMBL8944661

Cc1nc2c(S)cccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.62
AGTR1 P30556 2/20 0.53
AGTR2 P50052 2/20 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
SCHEMBL10443033 0.84 TNF (0.51)
SCHEMBL8396864 0.83 PPARG (0.72) PPARGAGTR1AGTR2
SCHEMBL9874055 0.80 AGTR1 (0.53) PPARGAGTR1AGTR2
SCHEMBL9874062 0.79 PPARG (0.54) PPARG
SCHEMBL9874652 0.78 AGTR1 (0.71) PPARGAGTR1AGTR2
SCHEMBL9871788 0.77 PPARG (0.52) PPARGAGTR1AGTR2
SCHEMBL9873947 0.77 PPARG (0.50) PPARGAGTR1AGTR2
SCHEMBL9874279 0.77 PPARG (0.53) PPARGAGTR1AGTR2
SCHEMBL9873428 0.77 PPARG (0.52) PPARGAGTR1AGTR2
SCHEMBL8971658 0.77 AGTR1 (0.75) PPARGAGTR1AGTR2

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 3 patents. 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
EP-0392317-B1 Benzimidazoles, drugs containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1996-01-03 EP disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP disclosed