SCHEMBL8040050

SCHEMBL8040050

N=C(N)c1ccc(OC(=O)C(F)(F)F)c(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4ccc[n+]([O-])c4)s3)C2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.60
F2 P00734 13/20 0.60
PROC P04070 5/20 0.47
PRSS1 P07477 4/20 0.47
PLG P00747 4/20 0.47
PLAT P00750 3/20 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
SCHEMBL8042796 0.89 F10 (0.77) F10F2PROCPRSS1PLG
SCHEMBL7422871 0.86 F10 (0.62) F10F2PROCPRSS1PLG
SCHEMBL8029368 0.85 F10 (0.77) F10F2PROCPRSS1PLG
SCHEMBL8029360 0.80 F10 (0.59) F10F2PROCPRSS1PLG
SCHEMBL8042774 0.80 F10 (0.58) F10F2PROCPRSS1PLG
SCHEMBL8039321 0.79 F10 (0.57) F10F2PROCPRSS1PLG
SCHEMBL7479476 0.79 F10 (0.57) F10F2PROCPRSS1PLG
SCHEMBL8029276 0.79 F10 (0.74) F10F2PROCPRSS1PLG
SCHEMBL8029198 0.78 F10 (0.75) F10F2PROCPRSS1PLG
Trifluoroacetic Acid SCHEMBL7474479 0.77 F10 (0.89) F10F2PROCPRSS1PLG

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