SCHEMBL7150912

SCHEMBL7150912

COc1cc(C(Nc2ccc(C(=N)NO)cc2)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.62
F10 P00742 7/20 0.62
PRSS1 P07477 7/20 0.62
F7 P08709 7/20 0.62
PRSS2 P07478 2/20 0.61
F3 P13726 2/20 0.61
PRSS3 P35030 2/20 0.61
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL7149560 0.93 F2 (0.65) F2F10PRSS1F7PRSS2
SCHEMBL7149341 0.91 F7 (0.75) F2F10PRSS1F7PRSS2
Acetic Acid SCHEMBL8122452 0.90 F7 (0.73) F2F10PRSS1F7PRSS2
SCHEMBL7147706 0.88 F2 (0.62) F2F10PRSS1F7PRSS2
SCHEMBL5881985 0.86 F2 (0.81) F2F10PRSS1F7PRSS2
SCHEMBL7147609 0.86 F2 (0.56) F2F10PRSS1F7PRSS2
SCHEMBL7150807 0.86 F2 (0.82) F2F10PRSS1F7PRSS2
SCHEMBL7150811 0.86 F2 (0.82) F2F10PRSS1F7PRSS2
SCHEMBL7150803 0.86 F2 (0.82) F2F10PRSS1F7PRSS2
SCHEMBL7143722 0.84 F2 (0.70) F2F10PRSS1F7PRSS2

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