SCHEMBL7369530

SCHEMBL7369530

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.41
ITGAV P06756 13/20 0.41
ITGA2B P08514 7/20 0.41
ITGB1 P05556 5/20 0.39
ITGA5 P08648 4/20 0.39
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ITGB5 P18084 1/20 0.33
ITGB6 P18564 1/20 0.33
GLS O94925 1/20 0.33

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
SCHEMBL7369525 1.00 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7374471 0.83 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7374464 0.83 ITGB3 (0.41) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7366861 0.82 ITGB3 (0.42) ITGB3ITGAVITGA2BITGB1
SCHEMBL7366867 0.82 ITGB3 (0.42) ITGB3ITGAVITGA2BITGB1
SCHEMBL7369516 0.81 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL8168274 0.78 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL8168263 0.78 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGA5
SCHEMBL7367256 0.68 F2 (0.40) ITGB3ITGAVITGA2BITGB5GLS
SCHEMBL7367251 0.68 F2 (0.40) ITGB3ITGAVITGA2BITGB5GLS

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