SCHEMBL7149712

SCHEMBL7149712

COc1ccc(NS(=O)(=O)c2ccccc2)c([C@H](Nc2ccc(C(=N)NO)cc2)C(=O)NCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.50
PRSS1 P07477 7/20 0.50
F7 P08709 4/20 0.50
F10 P00742 4/20 0.44
KEAP1 Q14145 2/20 0.43
NAMPT P43490 3/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
LIMK2 P53671 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
ADRB3 P13945 1/20 0.40
BMP1 P13497 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
SCHEMBL7149300 1.00 F2 (0.50) F2PRSS1F7F10KEAP1
SCHEMBL7142561 0.91 F2 (0.60) F2PRSS1F7F10KEAP1
SCHEMBL7142566 0.91 F2 (0.60) F2PRSS1F7F10KEAP1
Acetic Acid SCHEMBL8120279 0.90 F2 (0.59) F2PRSS1F7F10KEAP1
SCHEMBL7149769 0.86 F2 (0.46) F2PRSS1F7F10HDAC8
SCHEMBL7142453 0.85 F7 (0.66) F2PRSS1F7F10NAMPT
SCHEMBL7148118 0.81 F2 (0.51) F2PRSS1F7F10PRSS2
SCHEMBL7148395 0.79 F7 (0.56) F2PRSS1F7F10PRSS2
SCHEMBL7148405 0.79 F7 (0.56) F2PRSS1F7F10PRSS2
SCHEMBL7148384 0.79 F7 (0.56) 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 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