SCHEMBL7142253

SCHEMBL7142253

COc1cc(C(Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.54
PRSS1 P07477 8/20 0.54
F7 P08709 8/20 0.54
F10 P00742 7/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.44
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
HPGD P15428 1/20 0.41
PRSS2 P07478 1/20 0.41
F3 P13726 1/20 0.41
PRSS3 P35030 1/20 0.41
SGMS2 Q8NHU3 1/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7146243 0.95 F2 (0.46) F2PRSS1F7F10MEN1
SCHEMBL7146245 0.95 F2 (0.46) F2PRSS1F7F10MEN1
SCHEMBL5883042 0.91 F2 (0.48) F2PRSS1F7F10MEN1
SCHEMBL5428477 0.90 MEN1 (0.47) F2PRSS1F7F10MEN1
SCHEMBL5519237 0.89 MEN1 (0.48) F2PRSS1F7F10MEN1
SCHEMBL27489903 0.89 F2 (0.44) F2PRSS1F7F10MEN1
SCHEMBL7146126 0.88 F2 (0.57) F2PRSS1F7F10MEN1
SCHEMBL7146130 0.88 F2 (0.57) F2PRSS1F7F10MEN1
SCHEMBL7144188 0.87 F7 (0.58) F2PRSS1F7F10ALDH1A1
SCHEMBL5883284 0.85 F2 (0.54) F2PRSS1F7F10ALDH1A1

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