Sugi Predict

Sugi Predict / Compounds / SCHEMBL9529637

SCHEMBL9529637

SCHEMBL9529637

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

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 3/20 0.43
▸ LTB4R Q15722 1/20 0.40
▸ LTB4R2 Q9NPC1 1/20 0.40
▸ 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
SCHEMBL6004807 0.90 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9528694 0.88 FOLH1 (0.44) FOLH1LTB4RLTB4R2AGTR1AGTR2
SCHEMBL6005633 0.82 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9738591 0.80 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL6007982 0.80 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL6004415 0.80 AGTR1 (0.51) LTB4R2AGTR1AGTR2
SCHEMBL9532478 0.79 AGTR1 (0.54) FOLH1LTB4RLTB4R2AGTR1AGTR2
SCHEMBL9531576 0.79 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9553063 0.78 FOLH1 (0.44) FOLH1LTB4RLTB4R2AGTR1AGTR2
SCHEMBL6007169 0.77 PPARG (0.47) AGTR1AGTR2

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