SCHEMBL8029368

SCHEMBL8029368

N=C(N)c1ccc(OC(=O)C(F)(F)F)c(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4ccon4)s3)C2=O)c1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.77
F2 P00734 15/20 0.77
PROC P04070 8/20 0.52
PLG P00747 7/20 0.52
PRSS1 P07477 5/20 0.52
PLAT P00750 6/20 0.52

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
SCHEMBL7422871 0.89 F10 (0.62) F10F2PROCPLGPRSS1
Trifluoroacetic Acid SCHEMBL7480199 0.88 F10 (0.90) F10F2PROCPLGPRSS1
Trifluoroacetic Acid SCHEMBL7480193 0.88 F10 (0.90) F10F2PROCPLGPRSS1
Trifluoroacetic Acid SCHEMBL7424578 0.88 F10 (0.90) F10F2PROCPLGPRSS1
SCHEMBL8042796 0.87 F10 (0.77) F10F2PROCPLGPRSS1
SCHEMBL8040050 0.85 F10 (0.60) F10F2PROCPLGPRSS1
Trifluoroacetic Acid SCHEMBL7477803 0.83 F10 (0.90) F10F2PROCPLGPRSS1
Trifluoroacetic Acid SCHEMBL7477812 0.83 F10 (0.90) F10F2PROCPLGPRSS1
SCHEMBL8029198 0.82 F10 (0.75) F10F2PROCPLGPRSS1
SCHEMBL8029276 0.82 F10 (0.74) F10F2PROCPLGPRSS1

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
US-6034093-A Substituted sulfonic acid N-[(aminoiminomethyl)phenylalkyl]-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-03-07 US claimed
US-6034093-A Substituted sulfonic acid N-[(aminoiminomethyl)phenylalkyl]-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-03-07 US disclosed