SCHEMBL6565271

SCHEMBL6565271

CC(C)CN(Cc1cccc(C(=N)NC(=O)O)c1)C(=O)C(=O)N(N)c1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.47
PRSS1 P07477 9/20 0.42
F2 P00734 8/20 0.42
PRSS2 P07478 8/20 0.42
PRSS3 P35030 8/20 0.42
PLG P00747 2/20 0.42
PLAT P00750 2/20 0.42
F7 P08709 2/20 0.42

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
SCHEMBL7034349 0.87 F10 (0.46) F10PRSS1F2PRSS2PRSS3
SCHEMBL6749865 0.82 F10 (0.51) F10PRSS1F2
SCHEMBL6752283 0.82 F10 (0.52) F10PRSS1F2
SCHEMBL6749876 0.81 F10 (0.50) F10PRSS1F2
SCHEMBL7090138 0.80 F10 (0.49) F10PRSS1F2PRSS2PRSS3
SCHEMBL7090541 0.80 F10 (0.47) F10PRSS1F2PRSS2PRSS3
SCHEMBL6750749 0.80 F10 (0.59) F10PRSS1F2PRSS2PRSS3
SCHEMBL7099152 0.80 F10 (0.51) F10PRSS1F2PRSS2PRSS3
SCHEMBL6564612 0.79 F10 (0.55) F10PRSS1F2
SCHEMBL7098603 0.79 F10 (0.47) F10PRSS1F2PRSS2PRSS3

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-1377543-A1 OXALIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2004-01-07 EP disclosed
WO-2002083630-A1 OXALIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-10-24 WO disclosed