SCHEMBL8423934

SCHEMBL8423934

CN[C@H]1CCN(Cc2cc(C#N)cs2)C1=O.COc1ccc2ccc(S(=O)(=O)O)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.59
F2 P00734 6/20 0.59
KLK6 Q92876 1/20 0.53
PLG P00747 2/20 0.47
PROC P04070 2/20 0.47
PRSS1 P07477 2/20 0.47
PLAT P00750 1/20 0.47

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
SCHEMBL2335860 0.89 F10 (0.72) F10F2KLK6PLGPROC
SCHEMBL8425435 0.87 F10 (0.60) F10F2KLK6PLGPROC
SCHEMBL8425627 0.87 F10 (0.61) F10F2KLK6PLGPROC
SCHEMBL8423785 0.85 F10 (0.59) F10F2PLGPROCPRSS1
SCHEMBL8425526 0.83 F10 (0.61) F10F2KLK6PLGPROC
SCHEMBL8425641 0.83 F10 (0.58) F10F2PLGPROCPRSS1
SCHEMBL8428224 0.82 F10 (0.56) F10F2KLK6PLGPROC
SCHEMBL2330145 0.82 KLK6 (0.65) F10F2KLK6PLGPROC
SCHEMBL8423852 0.81 F10 (0.54) F10F2KLK6PLGPROC
SCHEMBL8428326 0.81 F10 (0.61) F10F2PLGPROCPRSS1

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