SCHEMBL1126448

SCHEMBL1126448

CCCCOC(=O)N=C(N)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ATM Q13315 1/20 0.47
TSHR P16473 6/20 0.44
HPGD P15428 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HCAR2 Q8TDS4 1/20 0.41
LMNA P02545 3/20 0.41
NAAA Q02083 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDE4D Q08499 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL8196155 0.82 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDPRSS1
SCHEMBL31114341 0.81 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDPRSS1
SCHEMBL7455339 0.81 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDPRSS1
SCHEMBL17050958 0.79 TSHR (0.50) ALDH1A1TSHRPRSS1PRSS2PRSS3
SCHEMBL8057564 0.78
SCHEMBL6866100 0.78 RAB9A (0.44) ALDH1A1ATMRAB9AMAPTNPSR1
SCHEMBL1579478 0.78
SCHEMBL843522 0.78 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL6576430 0.78 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL158105 0.78 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163633-B Antimicrobial polymers capable of supramolecular assembly 国际商业机器公司 2024-05-24 CN disclosed
CN-111491980-B Antimicrobial polymers capable of supramolecular assembly 国际商业机器公司 2022-03-11 CN disclosed
CN-114163633-A Antimicrobial polymers capable of supramolecular assembly 国际商业机器公司 2022-03-11 CN disclosed
CN-111491980-A Antimicrobial polymers capable of supramolecular assembly 国际商业机器公司 2020-08-04 CN disclosed
EP-2310012-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIMIDINE DERIVATIVES Janssen Pharmaceutica N.V. (BE) 2011-04-20 EP disclosed
EP-2282995-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS Novartis AG (CH) 2011-02-16 EP disclosed
WO-2010002774-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 WO disclosed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 WO disclosed
EP-1448187-A4 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2005-05-25 EP disclosed
EP-1448187-A2 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Bristol-Myers Squibb Company (US) 2004-08-25 EP disclosed
WO-2003048127-A1 AROMATIC HETEROCYCLIC NON-COVALENT INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2003-06-12 WO disclosed
WO-2003047512-A2 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
WO-2002014349-A2 NON-COVALENT INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2002-02-21 WO disclosed
EP-1133488-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2001-09-19 EP disclosed
EP-1015438-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1015438-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-05 EP disclosed
WO-2000031067-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-06-02 WO disclosed
WO-1999048911-A1 MONOBACTAM ENZYME INHIBITORS NAEJA PHARMACEUTICAL INC. (GB) 1999-09-30 WO disclosed
WO-1999011637-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-03-11 WO disclosed
US-5859295-A Canavanine analogs and their use as chemotherapeutic agents UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1999-01-12 US disclosed