SCHEMBL1780776

SCHEMBL1780776

C[C@H](N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 1/20 0.46
ALDH1A1 P00352 4/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
GLA P06280 2/20 0.41
TERT O14746 1/20 0.41
SSTR3 P32745 1/20 0.40
NPY4R P50391 8/20 0.39
NPY5R Q15761 8/20 0.39
NPY1R P25929 7/20 0.39
NPY2R P49146 5/20 0.39
HDAC8 Q9BY41 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PARP14 Q460N5 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
SCHEMBL5756647 0.93 PDF (0.45) PDFALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL8723156 0.92 PDF (0.52) PDFALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL30931251 0.92 PDF (0.44) PDFALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL15286730 0.92 PDF (0.44) PDFALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL5582797 0.92 PDF (0.44) PDFALDH1A1LMNASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL4449414 0.91 PDF (0.44) PDFALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL38651683 0.89 PDF (0.51) PDFALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL15923684 0.88 PDF (0.42) PDFALDH1A1MEN1KMT2ASSTR3
SCHEMBL1779020 0.88 PDF (0.42) PDFALDH1A1MEN1KMT2ASSTR3
SCHEMBL2567001 0.87 PDF (0.48) PDFALDH1A1LMNASMN1; SMN2MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114921447-B Preparation method of enzyme reagent and prothrombin time detection card containing enzyme reagent 可孚医疗科技股份有限公司 2023-12-12 CN claimed
CN-114921447-B Preparation method of enzyme reagent and prothrombin time detection card containing enzyme reagent 可孚医疗科技股份有限公司 2023-12-12 CN disclosed
CN-114921447-A Preparation method of enzyme reagent and prothrombin time detection card containing enzyme reagent 可孚医疗科技股份有限公司 2022-08-19 CN disclosed
US-7943333-B2 Diagnostic method for identifying carriers of the Marburg I variant of factor VII-activating protease (FSAP) on the basis of differential modulation of FSAP activity SIEMENS HEALTHCARE DIAGNOSTICS PRODUCTS GMBH (DE) 2011-05-17 US disclosed
US-20070190574-A1 Diagnostic method for identifying carriers of the Marburg I variant of factor VII-activating protease (FSAP) on the basis of differential modulation of FSAP activity DADE BEHRING MARBURG GMBH 2007-08-16 US disclosed