SCHEMBL9529085

SCHEMBL9529085

CCc1nc(C(=O)c2ccccc2)nn1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.45
PPARG P37231 2/20 0.44
AGTR1 P30556 9/20 0.43
AGTR2 P50052 9/20 0.43

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
SCHEMBL6005873 0.88 AGTR1 (0.55) PPARGAGTR1AGTR2
SCHEMBL9737230 0.87 FOLH1 (0.44) FOLH1AGTR1AGTR2
SCHEMBL9552386 0.85 FOLH1 (0.45) FOLH1PPARGAGTR1AGTR2
SCHEMBL9530302 0.85 AGTR1 (0.47) FOLH1AGTR1AGTR2
SCHEMBL9528694 0.83 FOLH1 (0.44) FOLH1PPARGAGTR1AGTR2
SCHEMBL9527916 0.82 AGTR1 (0.53) FOLH1AGTR1AGTR2
SCHEMBL9735863 0.81 FOLH1 (0.39) FOLH1AGTR1AGTR2
SCHEMBL6006905 0.80 PPARG (0.61) PPARGAGTR1AGTR2
SCHEMBL6008225 0.79 AGTR1 (0.69) AGTR1AGTR2
SCHEMBL6007367 0.78 AGTR1 (0.69) 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-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP disclosed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO disclosed