SCHEMBL7140893

SCHEMBL7140893

COc1cc(C(Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)c(NS(=O)(=O)c2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.59
PRSS1 P07477 9/20 0.59
F7 P08709 9/20 0.59
F10 P00742 8/20 0.49
AR P10275 2/20 0.47
ACLY P53396 2/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 1/20 0.40
PRSS2 P07478 1/20 0.40
F3 P13726 1/20 0.40
PRSS3 P35030 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NAMPT P43490 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
RCE1 Q9Y256 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL7146545 0.92 F2 (0.57) F2PRSS1F7F10AR
SCHEMBL7142896 0.87 F2 (0.78) F2PRSS1F7F10PRSS2
SCHEMBL7142453 0.86 F7 (0.66) F2PRSS1F7F10MEN1
SCHEMBL7146126 0.86 F2 (0.57) F2PRSS1F7F10MEN1
SCHEMBL7146130 0.86 F2 (0.57) F2PRSS1F7F10MEN1
SCHEMBL7143883 0.86 F2 (0.55) F2PRSS1F7F10MEN1
Acetic Acid SCHEMBL8127149 0.86 F2 (0.76) F2PRSS1F7F10PRSS2
SCHEMBL7147539 0.85 F2 (0.52) F2PRSS1F7F10MEN1
SCHEMBL7147547 0.85 F2 (0.52) F2PRSS1F7F10MEN1
SCHEMBL7144188 0.85 F7 (0.58) F2PRSS1F7F10CYP19A1

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