SCHEMBL7142453

SCHEMBL7142453

COc1cc(C(Nc2ccc(C(=N)NO)cc2)C(=O)NCc2ccccc2)c(NS(=O)(=O)c2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F7 P08709 12/20 0.66
F2 P00734 11/20 0.66
PRSS1 P07477 11/20 0.66
F10 P00742 10/20 0.56
F3 P13726 3/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
SMPD1 P17405 1/20 0.41
HDAC2 Q92769 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.38
NAMPT P43490 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7145102 0.92 F2 (0.63) F7F2PRSS1F10F3
SCHEMBL7142896 0.92 F2 (0.78) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8127149 0.90 F2 (0.76) F7F2PRSS1F10F3
SCHEMBL8122456 0.88 F2 (0.61) F7F2PRSS1F10F3
SCHEMBL7144612 0.88 F2 (0.61) F7F2PRSS1F10F3
SCHEMBL7144607 0.88 F2 (0.61) F7F2PRSS1F10F3
SCHEMBL7143873 0.87 F2 (0.60) F7F2PRSS1F10F3
SCHEMBL7140893 0.86 F2 (0.59) F7F2PRSS1F10F3
SCHEMBL8113180 0.86 F2 (0.59) F7F2PRSS1F10F3
SCHEMBL7144098 0.86 F2 (0.58) 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 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