SCHEMBL8424709

SCHEMBL8424709

CC(=O)NN([C@H]1CCN(Cc2csc(C#N)c2)C1=O)S(=O)(=O)c1ccc2ccc(NC(=O)OCc3ccccc3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.42
F2 P00734 10/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
PROC P04070 1/20 0.42
KLK6 Q92876 2/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
TGM2 P21980 4/20 0.37
TGM6 O95932 1/20 0.37
F13A1 P00488 1/20 0.37
TGM1 P22735 1/20 0.37

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
SCHEMBL2329425 0.91 F10 (0.52) F10F2PLGPLATPROC
SCHEMBL8425865 0.89 F10 (0.37) F10F2PLGPLATPROC
SCHEMBL2325817 0.89 F10 (0.50) F10F2PLGPLATPROC
SCHEMBL2325807 0.89 F10 (0.50) F10F2PLGPLATPROC
SCHEMBL2333896 0.87 F10 (0.52) F10F2PLGPLATPROC
SCHEMBL2327401 0.86 F10 (0.45) F10F2PLGPLATPROC
SCHEMBL8428258 0.84 F10 (0.59) F10F2PLGPLATPROC
SCHEMBL8423970 0.84 F10 (0.43) F10F2PLGPROCMMP2
SCHEMBL8425646 0.82 F10 (0.41) F10F2PLGPROCMMP2
SCHEMBL8428362 0.81 MMP2 (0.39) F10F2PLGPROCMMP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958918-A Substituted (sulfinic acid, sulfonic acid, sulfonylamino or sulfinylamino) N- (aminominomethyl)phenylalkyl!-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. 1999-09-28 US disclosed