SCHEMBL3676687

SCHEMBL3676687

CC(=O)NS(=O)(=O)c1ccc(C(C)N(C(=O)CC(N)=O)c2ccc(C(=N)N)cc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.39
PRSS1 P07477 6/20 0.39
PRSS2 P07478 4/20 0.39
PRSS3 P35030 4/20 0.39
F7 P08709 4/20 0.36
F3 P13726 1/20 0.33
F2 P00734 3/20 0.33
PDK1 Q15118 3/20 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
SCHEMBL841872 0.71 TRPV4 (0.42)
SCHEMBL28785671 0.70 F10 (0.38) F10PRSS1F7F2
SCHEMBL28785673 0.70 F10 (0.38) F10PRSS1F7F2
SCHEMBL27776651 0.69 F10 (0.34) F10PRSS1F2
SCHEMBL27776654 0.67 F10 (0.36) F10PRSS1F7F3F2
SCHEMBL27776667 0.67 F2 (0.59) PRSS1PRSS2PRSS3F7F2
SCHEMBL27776650 0.66 F2 (0.42) F10F7F2
SCHEMBL840919 0.66 FLT1 (0.45)
SCHEMBL27776662 0.66 F2 (0.47) F10PRSS1PRSS2PRSS3F7
SCHEMBL3685510 0.65 F2 (0.41) F10PRSS1PRSS2PRSS3F7

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-2176223-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY Sanofi-Aventis (FR) 2010-04-21 EP disclosed
CN-101687797-A Malonamide derivatives with antithrombotic activity SANOFI AVENTIS 2010-03-31 CN disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 WO disclosed