SCHEMBL333045

SCHEMBL333045

C#CCN.CS(=O)(=O)O

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Sulfuric Acid SCHEMBL15720235 0.88
SCHEMBL4501254 0.79
SCHEMBL31691655 0.79
Methyl Alcohol SCHEMBL27820628 0.77
Propyne SCHEMBL28661020 0.74
Ethylenediamine SCHEMBL27481010 0.74 BLM (0.50)
Ethylenediamine SCHEMBL9351771 0.74
Ethylamine SCHEMBL6138422 0.74
SCHEMBL1499 0.73
SCHEMBL7684965 0.72 CA2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433626-B1 Compositions and methods for treatment of cardiovascular disorders and diseases TECHNION RES & DEV FOUNDATION (IL) 2015-11-04 EP disclosed
US-20120095107-A1 METHODS FOR TREATMENT OF CARDIOVASCULAR DISORDERS AND DISEASES RAPPAPORT FAMILY INSTITUTE FOR RESEARCH IN THE MEDICAL SCIENCES (IL) 2012-04-19 US disclosed
EP-2433626-A1 Compositions and Methods for Treatment of Cardiovascular Disorders and Diseases Technion Research & Development Foundation Ltd. (IL) 2012-03-28 EP disclosed
US-8097608-B2 Use of propargylamine or derivative including including N-propargyl-1-aminoindane as protective agent; preventing apoptosis TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-01-17 US disclosed
EP-1686973-A4 COMPOSITIONS AND METHODS FOR TREATMENT OF CARDIOVASCULAR DISORDERS AND DISEASES TECHNION RES & DEV FOUNDATION (IL) 2009-03-25 EP disclosed
EP-1942881-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF RENAL FAILURE Technion Research and Development of Foundation, Ltd. (IL) 2008-07-16 EP disclosed
US-20080090915-A1 METHOD FOR PREVENTING OR ATTENUATING ANTHRACYCLINE-INDUCED CARDIOTOXICITY TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2008-04-17 US disclosed
WO-2007039909-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF RENAL FAILURE TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2007-04-12 WO disclosed
US-20060287401-A1 Methods for treatment of cardiovascular disorders and diseases TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2006-12-21 US disclosed
EP-1686973-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CARDIOVASCULAR DISORDERS AND DISEASES TECHNION RESEARCH AND DEVELOPMENT FOUNDATION, LTD. (IL) 2006-08-09 EP disclosed
US-20050191348-A1 Use of propargylamine as neuroprotective agent TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2005-09-01 US disclosed
US-20050171210-A1 Compositions and methods for treatment of cardiovascular disorders and diseases TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2005-08-04 US disclosed
WO-2005051371-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF CARDIOVASCULAR DISORDERS AND DISEASES TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2005-06-09 WO disclosed