Sugi Predict

Sugi Predict / Compounds / SCHEMBL8102477

SCHEMBL8102477

SCHEMBL8102477

Bc1cc(C(C)NC(=O)CC(=O)Nc2ccc(C(=N)N)cc2)ccc1OC1CCN(CC(=O)OCC)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.42
▸ ITGA2B P08514 3/20 0.42
▸ F7 P08709 14/20 0.41
▸ F2 P00734 12/20 0.41
▸ F10 P00742 5/20 0.41
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39
▸ F3 P13726 1/20 0.39
▸ PRSS3 P35030 1/20 0.39

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
SCHEMBL860491 0.91 F7 (0.46) ITGB3ITGA2BF7F2F10
SCHEMBL8102918 0.91 F7 (0.43) F7F2F10
SCHEMBL860456 0.89 F7 (0.41) ITGB3ITGA2BF7F2F10
SCHEMBL861396 0.87 F10 (0.39) ITGB3ITGA2BF7F2F10
SCHEMBL860983 0.86 F7 (0.39) ITGB3ITGA2BF7F2F10
SCHEMBL861163 0.82 F7 (0.48) F7F2F10
SCHEMBL860992 0.80 F7 (0.43) F7F2F10
SCHEMBL860939 0.78 F7 (0.50) F7F2F10PRSS1PRSS2
SCHEMBL860524 0.78 F7 (0.40) ITGB3ITGA2BF7F2F10
SCHEMBL860380 0.78 F7 (0.49) F7F2F10

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-2176223-B1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI SA (FR) 2013-01-23 — — EP disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 — — WO disclosed