SCHEMBL7369516

SCHEMBL7369516

Cc1cc(C)c(S(=O)(=O)N[C@H](C(=O)O)C(N)C(=O)c2nnc(CCCCNc3ccccn3)s2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.48
ITGAV P06756 10/20 0.48
ITGA2B P08514 7/20 0.48
ITGB1 P05556 13/20 0.40
ITGA5 P08648 13/20 0.40
ITGB5 P18084 2/20 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
SCHEMBL8168263 0.84 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL8168274 0.84 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7374456 0.83 SLC1A3 (0.51) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7369525 0.81 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7369530 0.81 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7366853 0.77 SLC1A3 (0.34) ITGB3ITGAVITGA2B
SCHEMBL7368311 0.76 ANPEP (0.45) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL4920518 0.68 ITGB3 (0.74) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL6495549 0.68 ITGAV (0.63) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7374464 0.68 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB1ITGA5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049693-A1 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS $g(a) v?$g(b) 3? ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2000-11-08 EP claimed
WO-1999026945-A1 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS αvβ3 ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-06-03 WO claimed
EP-1049693-A1 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS $g(a) v?$g(b) 3? ANTAGONISTS Du Pont Pharmaceuticals Company (US) 2000-11-08 EP disclosed
WO-1999026945-A1 1,3,4-THIADIAZOLES AND 1,3,4-OXADIAZOLES AS αvβ3 ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 1999-06-03 WO disclosed