SCHEMBL2332489

SCHEMBL2332489

COc1ccc2cc(S(=O)(=O)N(C)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)ccc2c1

nearest known ligand 0.97

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.97
F2 P00734 13/20 0.97
PLG P00747 2/20 0.71
PROC P04070 2/20 0.71
PLAT P00750 1/20 0.71
KLK6 Q92876 1/20 0.69
PRSS1 P07477 1/20 0.69

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
SCHEMBL2326601 0.85 F10 (0.84) F10F2PLGPROCPLAT
SCHEMBL2332540 0.85 F10 (0.85) F10F2PLGPROCPLAT
SCHEMBL2333868 0.84 F10 (0.81) F10F2PLGPROCPLAT
Trifluoroacetic Acid SCHEMBL2331637 0.84 F10 (0.83) F10F2PLGPROCPLAT
SCHEMBL2325707 0.83 F10 (0.69) F10F2PLGPROCPLAT
SCHEMBL8425320 0.83 KLK6 (0.78) F10F2PLGPROCPLAT
SCHEMBL29372344 0.83 F10 (1.00) F10F2PLGPROCPLAT
Trifluoroacetic Acid SCHEMBL2328620 0.83 F10 (0.83) F10F2PLGPROCPLAT
Trifluoroacetic Acid SCHEMBL2328116 0.83 F10 (0.81) F10F2PLGPROCPLAT
Hydrochloric Acid SCHEMBL7423366 0.83 KLK6 (0.76) F10F2PLGPROCPLAT

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
EP-0853618-B1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2011-08-17 EP disclosed