SCHEMBL7150568

SCHEMBL7150568

CC(=O)Nc1cccc(C(Nc2ccc(C(=N)NO)cc2)C(=O)NCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F7 P08709 7/20 0.53
F3 P13726 3/20 0.53
F2 P00734 7/20 0.52
F10 P00742 6/20 0.52
PRSS1 P07477 6/20 0.52
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PTPN1 P18031 1/20 0.44
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
F11 P03951 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7150576 1.00 F7 (0.53) F7F3F2F10PRSS1
SCHEMBL7144712 0.89 F7 (0.65) F7F3F2F10PRSS1
SCHEMBL7144720 0.89 F7 (0.65) F7F3F2F10PRSS1
Acetic Acid SCHEMBL8114249 0.89 F7 (0.64) F7F3F2F10PRSS1
SCHEMBL5883990 0.85 ALDH1A1 (0.43) F7F3F2F10PRSS1
SCHEMBL7149677 0.82 F7 (0.54) F7F3F2F10PRSS1
SCHEMBL7149660 0.82 F7 (0.54) F7F3F2F10PRSS1
SCHEMBL7148395 0.80 F7 (0.56) F7F3F2F10PRSS1
SCHEMBL7148405 0.80 F7 (0.56) F7F3F2F10PRSS1
SCHEMBL7148384 0.80 F7 (0.56) F7F3F2F10PRSS1

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