SCHEMBL7374464

SCHEMBL7374464

NC(N)(C(=O)O)C(C(=O)c1nnc(CCCCNc2ccccn2)s1)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.41
ITGAV P06756 10/20 0.41
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36
ITGA2B P08514 3/20 0.34
NPY5R Q15761 3/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
GLS O94925 5/20 0.34

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
SCHEMBL7374471 1.00 ITGB3 (0.41) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7367251 0.84 F2 (0.40) ITGB3ITGAVITGA2BNPY5RAGTR1
SCHEMBL7367256 0.84 F2 (0.40) ITGB3ITGAVITGA2BNPY5RAGTR1
SCHEMBL7369525 0.83 ITGB3 (0.41) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7369530 0.83 ITGB3 (0.41) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7374456 0.82 SLC1A3 (0.51) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL8179651 0.78 ITGAV (0.63) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL8179647 0.78 ITGAV (0.63) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7369516 0.68 ITGB3 (0.48) ITGB3ITGAVITGB1ITGA5ITGA2B
SCHEMBL7368318 0.67 GLS (0.42) ITGB3ITGAVITGB1ITGA5ITGA2B

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