SCHEMBL7367279

SCHEMBL7367279

N#Cc1ccc(C2=NO[C@@H](CC(=O)O)C2)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MIF P14174 12/20 0.71
ITGB3 P05106 5/20 0.63
ITGA2B P08514 5/20 0.63
HDAC6 Q9UBN7 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPK10 P53779 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ITGB2 P05107 1/20 0.47
ITGAM P11215 1/20 0.47

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
SCHEMBL6995730 1.00 MIF (0.71) MIFITGB3ITGA2BHDAC6ALDH1A1
SCHEMBL7214876 1.00 MIF (0.71) MIFITGB3ITGA2BHDAC6ALDH1A1
SCHEMBL1535896 0.83 MIF (1.00) MIFHDAC6
SCHEMBL668842 0.83 MIF (1.00) MIFHDAC6
SCHEMBL667932 0.83 MIF (1.00) MIFHDAC6
SCHEMBL5662697 0.83 ALDH1A1 (0.48) MIFITGB3ITGA2BHDAC6ALDH1A1
Vgx-1027 SCHEMBL1404343 0.83 MIF (0.78) MIFITGB3ITGA2BHDAC6ALDH1A1
Vgx-1027 SCHEMBL1414048 0.83 MIF (0.78) MIFITGB3ITGA2BHDAC6ALDH1A1
SCHEMBL12556024 0.82 MIF (0.76) MIFITGB3ITGA2BHDAC6
SCHEMBL8250520 0.81 ALDH1A1 (0.46) MIFHDAC6ALDH1A1MAPK10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832077-B1 IMPROVED ISOXAZOLINE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-11-14 EP disclosed
US-6306886-B1 SOLID POLYMORPH ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY 2001-10-23 US disclosed
US-6265400-B1 ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY 2001-07-24 US disclosed
EP-0730590-B1 ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS DU PONT PHARM CO (US) 2001-01-17 EP disclosed
US-6114328-A ANTICOAGULANTS; BLOOD DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-09-05 US disclosed
EP-0970950-A2 Novel isoxazoline and isoxazole fibrinogen receptor antagonists DuPont Pharmaceuticals Company (US) 2000-01-12 EP disclosed
US-5849736-A Isoxazoline and isoxazole fibrinogen receptor antagonists THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-15 US disclosed
US-5811441-A INHIBITION OF PLATELET AGGREGATION; TREATMENT OF AUTOIMMUNE DISEASES THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 US disclosed
WO-1996038426-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-05 WO disclosed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed
WO-1995014683-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-06-01 WO disclosed