SCHEMBL9532478

SCHEMBL9532478

CC(C)Cc1nc(C(=O)Cc2ccccc2)nn1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.54
AGTR2 P50052 10/20 0.54
FOLH1 Q04609 1/20 0.42
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
DHODH Q02127 1/20 0.40

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
SCHEMBL6006919 0.89 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL9738591 0.86 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL6008026 0.84 AGTR1 (0.55) AGTR1AGTR2FOLH1LTB4RLTB4R2
SCHEMBL9736561 0.82 AGTR1 (0.55) AGTR1AGTR2FOLH1LTB4RLTB4R2
SCHEMBL9532017 0.82 AGTR1 (0.55) AGTR1AGTR2FOLH1LTB4RLTB4R2
SCHEMBL9553063 0.81 FOLH1 (0.44) AGTR1AGTR2FOLH1LTB4RLTB4R2
SCHEMBL6004495 0.80 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL6006202 0.80 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9529637 0.79 FOLH1 (0.43) AGTR1AGTR2FOLH1LTB4RLTB4R2
SCHEMBL9737230 0.79 FOLH1 (0.44) AGTR1AGTR2FOLH1

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