SCHEMBL7149341

SCHEMBL7149341

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

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F7 P08709 12/20 0.75
F2 P00734 11/20 0.75
PRSS1 P07477 10/20 0.75
F10 P00742 9/20 0.75
F3 P13726 3/20 0.75
PRSS2 P07478 2/20 0.75
PRSS3 P35030 2/20 0.75
MRGPRX1 Q96LB2 2/20 0.54
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
Acetic Acid SCHEMBL8122452 0.98 F7 (0.73) F7F2PRSS1F10F3
SCHEMBL7148034 0.93 F7 (0.80) F7F2PRSS1F10F3
SCHEMBL7144669 0.93 F7 (0.83) F7F2PRSS1F10F3
SCHEMBL7144665 0.93 F7 (0.83) F7F2PRSS1F10F3
SCHEMBL7144661 0.93 F7 (0.83) F7F2PRSS1F10F3
SCHEMBL7144991 0.92 F7 (0.84) F7F2PRSS1F10F3
SCHEMBL7145038 0.92 F7 (0.84) F7F2PRSS1F10F3
SCHEMBL7145013 0.92 F7 (0.84) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8114675 0.92 F7 (0.77) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8121809 0.92 F7 (0.80) F7F2PRSS1F10F3

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