SCHEMBL9044879

SCHEMBL9044879

CCCCc1nc2c(C#N)cccc2n1Cc1ccc(-c2ccccc2OC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.54
AGTR1 P30556 2/20 0.54
AGTR2 P50052 2/20 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
SCHEMBL9040980 0.90 PPARG (0.51) PPARGAGTR1AGTR2
SCHEMBL9042413 0.89 AGTR1 (0.56) PPARGAGTR1AGTR2
SCHEMBL9041725 0.89 AGTR1 (0.56) PPARGAGTR1AGTR2
SCHEMBL8394944 0.88 AGTR1 (0.70) PPARGAGTR1AGTR2
SCHEMBL9041480 0.86 PPARG (0.54) PPARGAGTR1AGTR2
SCHEMBL9040081 0.85 AGTR1 (0.53) PPARGAGTR1AGTR2
SCHEMBL9041377 0.85 AGTR1 (0.74) PPARGAGTR1AGTR2
SCHEMBL9704828 0.83 TLR7 (0.53) PPARGAGTR1AGTR2
SCHEMBL9040695 0.83 AGTR1 (0.51) PPARGAGTR1AGTR2
SCHEMBL8392331 0.83 AGTR1 (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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