SCHEMBL8042774

SCHEMBL8042774

N=C(N)c1ccc(OC(=O)C(F)(F)F)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccc(F)cc4s3)C2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.58
F2 P00734 14/20 0.58
PROC P04070 8/20 0.58
PLG P00747 7/20 0.58
PLAT P00750 6/20 0.56
PRSS1 P07477 5/20 0.54

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
SCHEMBL8039321 0.92 F10 (0.57) F10F2PROCPLGPLAT
Trifluoroacetic Acid SCHEMBL7474897 0.88 F10 (0.64) F10F2PROCPLGPLAT
Trifluoroacetic Acid SCHEMBL7474904 0.88 F10 (0.64) F10F2PROCPLGPLAT
SCHEMBL8029276 0.88 F10 (0.74) F10F2PROCPLGPLAT
Trifluoroacetic Acid SCHEMBL8042770 0.87 F10 (0.69) F10F2PROCPLGPLAT
SCHEMBL8039391 0.86 F10 (0.52) F10F2PROCPLGPLAT
SCHEMBL8029360 0.85 F10 (0.59) F10F2PROCPLGPLAT
SCHEMBL7479476 0.85 F10 (0.57) F10F2PROCPLGPLAT
SCHEMBL7423245 0.84 F10 (0.75) F10F2PROCPLGPLAT
SCHEMBL8029198 0.84 F10 (0.75) 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