SCHEMBL7143067

SCHEMBL7143067

COc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)c(NS(=O)(=O)c2ccccc2)cc1O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.65
PRSS1 P07477 15/20 0.65
F7 P08709 11/20 0.65
F10 P00742 10/20 0.57
F3 P13726 3/20 0.46
PRSS2 P07478 6/20 0.46
PRSS3 P35030 6/20 0.46
TMPRSS6 Q8IU80 4/20 0.43

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
Acetic Acid SCHEMBL8124396 0.98 F2 (0.63) F2PRSS1F7F10F3
SCHEMBL7142896 0.90 F2 (0.78) F2PRSS1F7F10F3
SCHEMBL8124400 0.90 F2 (0.65) F2PRSS1F7F10F3
Acetic Acid SCHEMBL8127149 0.89 F2 (0.76) F2PRSS1F7F10F3
Trifluoroacetic Acid SCHEMBL7146532 0.88 F2 (0.58) F2PRSS1F7F10F3
SCHEMBL7142566 0.87 F2 (0.60) F2PRSS1F7F10F3
SCHEMBL7142561 0.87 F2 (0.60) F2PRSS1F7F10F3
Acetic Acid SCHEMBL8120279 0.86 F2 (0.59) F2PRSS1F7F10F3
SCHEMBL7142453 0.82 F7 (0.66) F2PRSS1F7F10F3
SCHEMBL8128137 0.81 F7 (0.66) F2PRSS1F7F10F3

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
EP-0921116-B1 N-(4-carbamimido-phenyl)-glycine amide derivatives HOFFMANN LA ROCHE (CH) 2003-06-18 EP disclosed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed