SCHEMBL7147609

SCHEMBL7147609

COc1cc(C(Nc2ccc(C#N)cc2)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.56
F10 P00742 5/20 0.56
PRSS1 P07477 5/20 0.56
F7 P08709 5/20 0.56
PRSS2 P07478 2/20 0.56
F3 P13726 2/20 0.56
PRSS3 P35030 2/20 0.56
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
POLB P06746 4/20 0.50
PTPN7 P35236 2/20 0.50
PTPN12 Q05209 2/20 0.50
PTPN22 Q9Y2R2 2/20 0.50
TDP1 Q9NUW8 2/20 0.49
BLM P54132 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL7149301 0.93 F2 (0.61) F2F10PRSS1F7PRSS2
SCHEMBL7146173 0.92 F2 (0.59) F2F10PRSS1F7PRSS2
SCHEMBL7146174 0.92 F2 (0.59) F2F10PRSS1F7PRSS2
SCHEMBL7146169 0.92 F2 (0.59) F2F10PRSS1F7PRSS2
SCHEMBL7145228 0.92 F2 (0.60) F2F10PRSS1F7PRSS2
SCHEMBL7145233 0.92 F2 (0.60) F2F10PRSS1F7PRSS2
SCHEMBL7145237 0.92 F2 (0.60) F2F10PRSS1F7PRSS2
SCHEMBL7149341 0.87 F7 (0.75) F2F10PRSS1F7PRSS2
SCHEMBL7147831 0.87 CTSV (0.59) F2F10PRSS1F7PRSS2
SCHEMBL7150912 0.86 F2 (0.62) 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 3 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
US-6140353-A USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-10-31 US disclosed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed