SCHEMBL7012371

SCHEMBL7012371

CC(C)CC(Oc1cccc(C(=N)N)c1)C(=O)NCc1ccc(-c2ccccc2S(C)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.51
PRSS1 P07477 8/20 0.51
PLG P00747 2/20 0.48
KLK1 P06870 2/20 0.48
PROC P04070 1/20 0.48
F2 P00734 3/20 0.47
PLAT P00750 1/20 0.44
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43

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
SCHEMBL7601136 0.93 F10 (0.58) F10PRSS1PLGKLK1PROC
SCHEMBL7006031 0.91 F10 (0.52) F10PRSS1PLGKLK1PROC
SCHEMBL7008413 0.88 F10 (0.64) F10PRSS1F2PRSS2PRSS3
SCHEMBL6298708 0.88 F10 (0.45) F10PRSS1PLGKLK1PROC
SCHEMBL6298709 0.86 F10 (0.67) F10PRSS1PLGKLK1PROC
SCHEMBL7116332 0.84 F10 (0.59) F10PRSS1PLGKLK1PROC
SCHEMBL7598438 0.84 F10 (0.59) F10PRSS1PLGKLK1PROC
SCHEMBL7120712 0.82 F10 (0.62) F10PRSS1PLGKLK1PROC
SCHEMBL7600812 0.81 F10 (0.72) F10PRSS1PLGPROCPRSS2
SCHEMBL7114688 0.81 F10 (0.60) F10PRSS1PLGKLK1PROC

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-1268413-A2 SUBSTITUTED BIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-01-02 EP disclosed
WO-2001070678-A2 SUBSTITUTED BIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2001-09-27 WO disclosed