SCHEMBL9528694

SCHEMBL9528694

CCC#Cc1nc(C(=O)c2ccccc2)nn1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.44
PPARG P37231 2/20 0.39
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
AGTR1 P30556 9/20 0.36
AGTR2 P50052 9/20 0.36

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
SCHEMBL6007169 0.90 PPARG (0.47) PPARGAGTR1AGTR2
SCHEMBL9529637 0.88 FOLH1 (0.43) FOLH1LTB4RLTB4R2AGTR1AGTR2
SCHEMBL9529085 0.83 FOLH1 (0.45) FOLH1PPARGAGTR1AGTR2
SCHEMBL6005633 0.79 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9528331 0.79 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL6007378 0.79 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL6004807 0.77 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL6007982 0.77 AGTR1 (0.48) PPARGAGTR1AGTR2
SCHEMBL9552386 0.77 FOLH1 (0.45) FOLH1PPARGLTB4RLTB4R2AGTR1
SCHEMBL6004415 0.77 AGTR1 (0.51) PPARGLTB4R2AGTR1AGTR2

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