SCHEMBL7149560

SCHEMBL7149560

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.65
PRSS1 P07477 10/20 0.65
F7 P08709 10/20 0.65
F10 P00742 9/20 0.65
PRSS2 P07478 2/20 0.65
F3 P13726 2/20 0.65
PRSS3 P35030 2/20 0.65
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 1/20 0.51
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 1/20 0.50
SMPD1 P17405 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
RXRA P19793 1/20 0.46
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 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
SCHEMBL7150912 0.93 F2 (0.62) F2PRSS1F7F10PRSS2
SCHEMBL7147706 0.91 F2 (0.62) F2PRSS1F7F10PRSS2
SCHEMBL7148034 0.90 F7 (0.80) F2PRSS1F7F10PRSS2
SCHEMBL5881985 0.89 F2 (0.81) F2PRSS1F7F10PRSS2
Acetic Acid SCHEMBL8114675 0.89 F7 (0.77) F2PRSS1F7F10PRSS2
SCHEMBL7150807 0.89 F2 (0.82) F2PRSS1F7F10PRSS2
SCHEMBL7150803 0.89 F2 (0.82) F2PRSS1F7F10PRSS2
SCHEMBL7150811 0.89 F2 (0.82) F2PRSS1F7F10PRSS2
SCHEMBL7145038 0.88 F7 (0.84) F2PRSS1F7F10PRSS2
SCHEMBL7145013 0.88 F7 (0.84) 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 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