Binapacryl

Binapacryl

SCHEMBL6437858

CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)C=C(C)C.CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)OC(C)C

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.82
ALDH1A1 P00352 5/20 0.37
LMNA P02545 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 3/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
GPR35 Q9HC97 1/20 0.32
MITF O75030 1/20 0.31
CCR6 P51684 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CREBBP Q92793 1/20 0.31

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
Binapacryl SCHEMBL54301 0.93 TDP1 (0.68) TDP1ALDH1A1LMNAKMT2APOLB
Binapacryl SCHEMBL29609584 0.93 TDP1 (0.68) TDP1ALDH1A1LMNAKMT2APOLB
Binapacryl SCHEMBL27879188 0.92 TDP1 (0.67) TDP1ALDH1A1LMNAKMT2APOLB
SCHEMBL14906 0.91 TDP1 (1.00) TDP1ALDH1A1LMNAKMT2APOLB
SCHEMBL29413979 0.91 TDP1 (1.00) TDP1ALDH1A1LMNAKMT2APOLB
Hydrogen Sulfide SCHEMBL28307249 0.90 TDP1 (0.98) TDP1ALDH1A1LMNAKMT2APOLB
Formic Acid SCHEMBL15401615 0.89 TDP1 (0.91) TDP1ALDH1A1LMNAKMT2APOLB
Binapacryl SCHEMBL6102052 0.86 TDP1 (0.60) TDP1ALDH1A1LMNAKMT2APOLB
Binapacryl SCHEMBL28214156 0.83 TDP1 (0.57) TDP1ALDH1A1LMNAKMT2APOLB
SCHEMBL28083815 0.82 TDP1 (0.79) TDP1ALDH1A1LMNAKMT2APOLB

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109169678-A Bactericide and composition thereof 侨昌现代农业有限公司 2019-01-11 CN disclosed
WO-2005051617-A2 ANTIFUNGAL PRESERVATIVE COMPOSITION FOR AN ENVIRONMENTALLY FRIENDLY PROCESS MICROBES UNLIMITED, LLC (US) 2005-06-09 WO disclosed
US-20050112393-A1 Antifungal preservative composition for an environmentally friendly process MICROBES UNLIMITED, LLC 2005-05-26 US disclosed
EP-0929217-B1 SORDARIN DERIVATIVES MERCK & CO INC (US) 2004-03-03 EP disclosed
EP-1007031-B1 4-CYANO-4-DEFORMYLSORDARIN DERIVATIVES MERCK & CO INC (US) 2003-06-04 EP disclosed
EP-0938307-B1 SORDARIN AND DERIVATIVES THEREOF FOR USE AS CROP ANTIFUNGAL AGENTS MERCK & CO INC (US) 2003-05-07 EP disclosed
EP-1007032-B1 4-CYANO-4-DEFORMYLSORDARICIN DERIVATIVES MERCK & CO INC (US) 2003-04-23 EP disclosed
WO-2003007878-A2 ANTIFUNGAL AGENTS OF SORDARIN DERIVATIVES MERCK & CO., INC. (US) 2003-01-30 WO disclosed
US-6436395-B1 Rosellinia subiculata ATCC 74386 and fungus ATCC 74387 for producing sordarin compounds for fungi control MERCK & CO., INC. 2002-08-20 US disclosed
EP-1007032-A4 4-CYANO-4-DEFORMYLSORDARICIN DERIVATIVES MERCK & CO INC (US) 2002-03-27 EP disclosed
US-6040463-A FUNGICIDE MERCK & CO., INC. (US) 2000-03-21 US disclosed
EP-0929217-A4 SORDARIN DERIVATIVES MERCK & CO INC (US) 1999-12-15 EP disclosed
US-5972996-A 4-cyano-4-deformylsordarin derivatives MERCK & CO., INC. (US) 1999-10-26 US disclosed
US-5965612-A 4-cyano-4-deformylsordaricin derivatives MERCK & CO., INC. (US) 1999-10-12 US disclosed
EP-0938307-A1 SORDARIN AND DERIVATIVES THEREOF FOR USE AS CROP ANTIFUNGAL AGENTS Merck & Co., Inc. (US) 1999-09-01 EP disclosed
EP-0929217-A1 SORDARIN DERIVATIVES Merck & Co., Inc. (US) 1999-07-21 EP disclosed
WO-1999009975-A1 4-CYANO-4-DEFORMYLSORDARICIN DERIVATIVES MERCK & CO., INC. (US) 1999-03-04 WO disclosed
WO-1999009974-A1 4-CYANO-4-DEFORMYLSORDARIN DERIVATIVES MERCK & CO., INC. (US) 1999-03-04 WO disclosed
WO-1998015178-A1 SORDARIN DERIVATIVES MERCK & CO., INC. (US) 1998-04-16 WO disclosed
WO-1998011891-A1 SORDARIN AND DERIVATIVES THEREOF FOR USE AS CROP ANTIFUNGAL AGENTS MERCK & CO., INC. (US) 1998-03-26 WO disclosed