SCHEMBL7401125

SCHEMBL7401125

COC(=O)CN1Cc2cc(NC(=O)c3ccc(C=NNC(=O)OCc4ccccc4)cc3)ccc2NCC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.51
ITGA2B P08514 4/20 0.51
MIF P14174 2/20 0.44
MAPT P10636 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ASF1A Q9Y294 2/20 0.37
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL7401638 0.88 ITGB3 (0.50) ITGB3ITGA2BMIFMAPTMEN1
SCHEMBL7401120 0.85 ITGB3 (0.58) ITGB3ITGA2BFLT1KDRFLT3
SCHEMBL7401121 0.83 ITGB3 (0.57) ITGB3ITGA2BMAPTALDH1A1SMN1; SMN2
SCHEMBL7401123 0.80 MIF (0.46) ITGB3ITGA2BMIFMAPTMEN1
SCHEMBL7402333 0.76 ITGB3 (0.74) ITGB3ITGA2B
SCHEMBL7433070 0.75 ITGB3 (0.68) ITGB3ITGA2BMIF
SCHEMBL7401634 0.73 ITGB3 (0.56) ITGB3ITGA2BFLT1KDRFLT3
SCHEMBL7400579 0.71 ITGB3 (0.43) ITGB3ITGA2BMIFMAPTMEN1
SCHEMBL7401636 0.71 ITGB3 (0.56) ITGB3ITGA2BFLT1KDRFLT3
SCHEMBL7400582 0.71 ITGB3 (0.43) ITGB3ITGA2BMIFMAPTMEN1

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