SCHEMBL7147706

SCHEMBL7147706

COc1cc(C(Nc2ccc(C(=N)NO)cc2)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.62
PRSS1 P07477 10/20 0.62
F7 P08709 10/20 0.62
F10 P00742 9/20 0.62
PRSS2 P07478 2/20 0.62
F3 P13726 2/20 0.62
PRSS3 P35030 2/20 0.62
CTSV O60911 3/20 0.57
CTSL P07711 3/20 0.57
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 1/20 0.46
POLB P06746 2/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CHEK1 O14757 1/20 0.45
PIM1 P11309 1/20 0.45
MAPK8 P45983 1/20 0.45

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
SCHEMBL7146316 0.91 F7 (0.76) F2PRSS1F7F10PRSS2
SCHEMBL7149560 0.91 F2 (0.65) F2PRSS1F7F10PRSS2
SCHEMBL8140030 0.90 F2 (0.60) F2PRSS1F7F10PRSS2
Acetic Acid SCHEMBL8126115 0.89 F7 (0.74) F2PRSS1F7F10PRSS2
SCHEMBL7150912 0.88 F2 (0.62) F2PRSS1F7F10PRSS2
SCHEMBL5881985 0.87 F2 (0.81) F2PRSS1F7F10PRSS2
SCHEMBL7150803 0.86 F2 (0.82) F2PRSS1F7F10PRSS2
SCHEMBL7150811 0.86 F2 (0.82) F2PRSS1F7F10PRSS2
SCHEMBL7150807 0.86 F2 (0.82) F2PRSS1F7F10PRSS2
SCHEMBL7146577 0.85 F2 (0.70) F2PRSS1F7F10PRSS2

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