SCHEMBL7367620

SCHEMBL7367620

Cc1cccc(S(=O)(=O)N[C@@](N)(CC(=O)Cc2nnc(CCCNC3=NCCN3)s2)C(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.36
ITGB3 P05106 5/20 0.35
ITGAV P06756 5/20 0.35
ITGA2B P08514 4/20 0.35
GLS O94925 1/20 0.33
FBP1 P09467 7/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL7367618 1.00 F2 (0.36) F2ITGB3ITGAVITGA2BGLS
SCHEMBL7366562 0.92 F2 (0.36) F2ITGB3ITGAVITGA2B
SCHEMBL7366556 0.92 F2 (0.36) F2ITGB3ITGAVITGA2B
SCHEMBL7377515 0.83 ITGB3 (0.36) F2ITGB3ITGAVITGA2BGLS
SCHEMBL7377522 0.83 ITGB3 (0.36) F2ITGB3ITGAVITGA2BGLS
SCHEMBL8177325 0.80 ITGB3 (0.46) F2ITGB3ITGAVITGA2B
SCHEMBL8216119 0.77 ITGB3 (0.39) F2ITGB3ITGAVITGA2BGLS
SCHEMBL7373174 0.75 ITGB3 (0.43) F2ITGB3ITGAVITGA2B
SCHEMBL7373177 0.75 ITGB3 (0.43) F2ITGB3ITGAVITGA2B
SCHEMBL8218081 0.72 GLS (0.34) F2ITGB3ITGAVITGA2BGLS

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-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