SCHEMBL9529405

SCHEMBL9529405

CC/C=C/c1nc(C(C)(F)F)nn1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.41
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
AGTR1 P30556 8/20 0.36
AGTR2 P50052 8/20 0.36
PPARG P37231 1/20 0.35

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
SCHEMBL9529410 1.00 FOLH1 (0.41) FOLH1LTB4RLTB4R2AGTR1AGTR2
SCHEMBL6007147 0.90 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL6007151 0.90 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9529308 0.84 AGTR1 (0.40) FOLH1AGTR1AGTR2
SCHEMBL9529312 0.84 AGTR1 (0.40) FOLH1AGTR1AGTR2
SCHEMBL6005991 0.82 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL6858376 0.82 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9528852 0.81 FOLH1 (0.41) FOLH1LTB4RLTB4R2AGTR1AGTR2
SCHEMBL9528847 0.81 FOLH1 (0.41) FOLH1LTB4RLTB4R2AGTR1AGTR2
SCHEMBL6005788 0.81 AGTR1 (0.46) AGTR1AGTR2PPARG

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