SCHEMBL8029360

SCHEMBL8029360

N=C(N)c1ccc(OC(=O)C(F)(F)F)c(CN2CC[C@H](NS(=O)(=O)c3cc4c(Cl)cccc4s3)C2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.59
F2 P00734 15/20 0.59
PROC P04070 8/20 0.59
PLG P00747 7/20 0.59
PLAT P00750 6/20 0.59
PRSS1 P07477 6/20 0.55

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
SCHEMBL7479476 0.92 F10 (0.57) F10F2PROCPLGPLAT
SCHEMBL8029198 0.89 F10 (0.75) F10F2PROCPLGPLAT
Trifluoroacetic Acid SCHEMBL7473945 0.88 F10 (0.64) F10F2PROCPLGPLAT
Trifluoroacetic Acid SCHEMBL7473940 0.88 F10 (0.64) F10F2PROCPLGPLAT
Trifluoroacetic Acid SCHEMBL8029359 0.88 F10 (0.72) F10F2PROCPLGPLAT
SCHEMBL8039321 0.87 F10 (0.57) F10F2PROCPLGPLAT
SCHEMBL8042774 0.85 F10 (0.58) F10F2PROCPLGPLAT
SCHEMBL7423245 0.85 F10 (0.75) F10F2PROCPLGPLAT
Trifluoroacetic Acid SCHEMBL7476892 0.84 F10 (0.74) F10F2PROCPLGPLAT
Trifluoroacetic Acid SCHEMBL7476888 0.84 F10 (0.74) F10F2PROCPLGPLAT

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 disclosed
US-5731315-A Substituted sulfonic acid n- (aminoiminomethyl)phenylalkyl!-azaheterocyclamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-03-24 US disclosed