SCHEMBL7094030

SCHEMBL7094030

CS(=O)(=O)c1cc(CNC(=O)C(Oc2cccc(C(=N)N)c2)c2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.59
PRSS1 P07477 11/20 0.59
F2 P00734 7/20 0.54
F9 P00740 1/20 0.46
PLAU P00749 1/20 0.46
PLG P00747 1/20 0.43
PROC P04070 1/20 0.43
KLK1 P06870 1/20 0.43
TMPRSS6 Q8IU80 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
SCHEMBL6298709 0.91 F10 (0.67) F10PRSS1F2F9PLAU
SCHEMBL7115851 0.86 F10 (0.77) F10PRSS1F2PLGPROC
SCHEMBL6298682 0.82 F10 (0.59) F10PRSS1F2F9PLAU
SCHEMBL6298642 0.80 F10 (0.86) F10PRSS1F2PLGPROC
SCHEMBL5164209 0.80 F10 (0.52) F10PRSS1F2F9PLAU
SCHEMBL7012371 0.79 F10 (0.51) F10PRSS1F2PLGPROC
Acetic Acid SCHEMBL6298091 0.79 F10 (0.83) F10PRSS1F2PLGPROC
SCHEMBL7006031 0.78 F10 (0.52) F10PRSS1F2PLGPROC
SCHEMBL6298667 0.76 F10 (0.82) F10PRSS1F2PLGPROC
SCHEMBL6807833 0.76 F10 (0.73) F10PRSS1F2PLGPROC

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