SCHEMBL7401123

SCHEMBL7401123

CN1CC(=O)N(CC(=O)O)Cc2cc(NC(=O)c3ccc(C=NNC(=O)OCc4ccccc4)cc3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.46
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
KDM1A O60341 4/20 0.40
RCOR1 Q9UKL0 4/20 0.40
MAOA P21397 3/20 0.40
KDM1B Q8NB78 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 3/20 0.39
ASF1A Q9Y294 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
NPC1 O15118 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL7401125 0.80 ITGB3 (0.51) MIFITGB3ITGA2BMEN1KMT2A
SCHEMBL7401638 0.76 ITGB3 (0.50) MIFITGB3ITGA2BKDM1ARCOR1
SCHEMBL7433070 0.75 ITGB3 (0.68) MIFITGB3ITGA2B
SCHEMBL7400582 0.74 ITGB3 (0.43) MIFITGB3ITGA2BKDM1ARCOR1
SCHEMBL7400579 0.74 ITGB3 (0.43) MIFITGB3ITGA2BKDM1ARCOR1
SCHEMBL7396918 0.72 ITGB3 (0.68) MIFITGB3ITGA2B
SCHEMBL7441463 0.72 MIF (0.40) MIFITGB3ITGA2BMEN1KMT2A
SCHEMBL7503400 0.71 MIF (0.45) MIFITGB3ITGA2BKDM1ARCOR1
SCHEMBL7441471 0.70 MIF (0.40) MIFITGB3ITGA2BMEN1KMT2A
SCHEMBL7597992 0.70 ITGB3 (0.57) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed