SCHEMBL7145102

SCHEMBL7145102

COc1cc(C(Nc2ccc(C(=N)NO)cc2)C(=O)NCc2ccccc2)c(NS(C)(=O)=O)cc1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.63
PRSS1 P07477 11/20 0.63
F7 P08709 11/20 0.63
F10 P00742 10/20 0.57
PRSS2 P07478 2/20 0.47
F3 P13726 2/20 0.47
PRSS3 P35030 2/20 0.47
HDAC1 Q13547 2/20 0.42
SMPD1 P17405 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ESRRA P11474 1/20 0.42
PTPN1 P18031 1/20 0.41
HDAC2 Q92769 1/20 0.40
ADRB3 P13945 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL7142453 0.92 F7 (0.66) F2PRSS1F7F10PRSS2
SCHEMBL5882513 0.91 F2 (0.55) F2PRSS1F7F10PRSS2
SCHEMBL8122456 0.90 F2 (0.61) F2PRSS1F7F10PRSS2
SCHEMBL7144612 0.89 F2 (0.61) F2PRSS1F7F10PRSS2
SCHEMBL7144607 0.89 F2 (0.61) F2PRSS1F7F10PRSS2
SCHEMBL7143873 0.88 F2 (0.60) F2PRSS1F7F10PRSS2
SCHEMBL8113180 0.88 F2 (0.59) F2PRSS1F7F10PRSS2
Trifluoroacetic Acid SCHEMBL7148076 0.88 F2 (0.70) F2PRSS1F7F10PRSS2
SCHEMBL7144103 0.87 F2 (0.58) F2PRSS1F7F10PRSS2
SCHEMBL7144098 0.87 F2 (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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