SCHEMBL8425399

SCHEMBL8425399

COc1ccc2ccc(S(=O)(=O)NC(C(=O)NCc3ccccc3)[C@@H]3CCN(Cc4cc(C#N)cs4)C3=O)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.49
F2 P00734 6/20 0.49
KLK6 Q92876 2/20 0.44
PLG P00747 1/20 0.43
PROC P04070 1/20 0.43
PRSS1 P07477 1/20 0.43
POLB P06746 1/20 0.40

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
SCHEMBL8423852 0.90 F10 (0.54) F10F2KLK6PLGPROC
SCHEMBL8424713 0.90 F10 (0.50) F10F2KLK6PLGPROC
SCHEMBL8428321 0.89 F10 (0.50) F10F2PLGPROCPRSS1
SCHEMBL8423753 0.85 F10 (0.51) F10F2KLK6PLGPROC
SCHEMBL8428315 0.85 F10 (0.48) F10F2PLGPROCPRSS1
SCHEMBL8428253 0.83 F10 (0.49) F10F2KLK6PLGPROC
SCHEMBL8423730 0.83 F10 (0.49) F10F2PLGPROCPRSS1
SCHEMBL8425519 0.82 F10 (0.51) F10F2PLGPROCPRSS1
SCHEMBL8428300 0.82 F10 (0.48) F10F2PLGPROCPRSS1
SCHEMBL2332815 0.81 KLK6 (0.56) F10F2KLK6PLGPROC

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