SCHEMBL6556446

SCHEMBL6556446

O=C(O)Cn1c(-c2cccs2)ncc(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 17/20 0.69
HDAC3 O15379 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC2 Q92769 3/20 0.51

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
SCHEMBL6557614 0.89 ELANE (0.62) ELANEHDAC3HDAC1HDAC2
SCHEMBL7863330 0.87 ELANE (0.70) ELANE
SCHEMBL7296453 0.86 ELANE (0.64) ELANEHDAC3HDAC1HDAC2
SCHEMBL7208083 0.86 ELANE (0.68) ELANE
SCHEMBL6085435 0.86 ELANE (0.67) ELANE
SCHEMBL6556302 0.85 ELANE (0.62) ELANEHDAC3HDAC1HDAC2
SCHEMBL6556218 0.84 ELANE (0.60) ELANE
SCHEMBL7276853 0.83 HDAC3 (0.53) ELANEHDAC3HDAC1HDAC2
SCHEMBL6556086 0.83 ELANE (0.80) ELANE
SCHEMBL6558297 0.83 ELANE (0.73) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826671-B1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
EP-0528633-B1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LTD (GB) 2000-10-18 EP disclosed
US-5948785-A USEFUL AS CHYMASE INHIBITORS AND CAN BE EFFECTIVE FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II. THE GREEN CROSS CORPORATION (JP) 1999-09-07 US disclosed
EP-0826671-A1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME THE GREEN CROSS CORPORATION (JP) 1998-03-04 EP disclosed
EP-0636141-B1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS ZENECA LTD (GB) 1997-06-25 EP disclosed
US-5441960-A 1-pyrimidinylacetamide human leukocyte elastate inhibitors ZENECA LIMITED (GB) 1995-08-15 US disclosed
EP-0636141-A1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS. ZENECA LTD (GB) 1995-02-01 EP disclosed
WO-1993021210-A1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO disclosed
US-5254558-A Substituted 1,3-diazines as leukocyte elastase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed
EP-0528633-A1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LIMITED (GB) 1993-02-24 EP disclosed