SCHEMBL3421789

SCHEMBL3421789

CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC(=O)[C@H](N)CCSC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.60
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
MPO P05164 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
HIF1A Q16665 1/20 0.49
TACR1 P25103 5/20 0.47
HCRTR1 O43613 1/20 0.46
ALOX15 P16050 1/20 0.45
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44

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
SCHEMBL2229695 0.90 CTSC (0.63) CTSCMEN1KMT2AKDM4ELMNA
Abrine SCHEMBL3421786 0.86 MEN1 (0.63) CTSCMEN1KMT2AKDM4ELMNA
SCHEMBL15167100 0.81 MEN1 (0.56) MEN1KMT2AKDM4ELMNAMPO
SCHEMBL7048700 0.80 CTSC (0.73) CTSCMEN1KMT2AALOX15ACE
SCHEMBL13154782 0.80 CTSC (0.73) CTSCMEN1KMT2AALOX15ACE
SCHEMBL7049417 0.80 CTSC (0.73) CTSCMEN1KMT2AALOX15ACE
SCHEMBL7048698 0.80 CTSC (0.73) CTSCMEN1KMT2AALOX15ACE
SCHEMBL29615352 0.79 KMT2A (0.58) CTSCMEN1KMT2AKDM4ELMNA
SCHEMBL5613870 0.79 KMT2A (0.67) MEN1KMT2AKDM4EMAPTHCRTR1
SCHEMBL5613868 0.79 KMT2A (0.67) MEN1KMT2AKDM4EMAPTHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3687561-A1 \"IMMUNOREGULATORY MOLECULES AND USES THEREFOR\ The Australian National University (AU) 2020-08-05 EP disclosed
EP-3472192-A1 SPIDER VENOM PEPTIDES AND METHODS OF USE FOR MODULATING SODIUM CHANNELS. The University of Queensland (AU) 2019-04-24 EP disclosed
WO-2019040994-A1 \"IMMUNOREGULATORY MOLECULES AND USES THEREFOR\ THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2019-03-07 WO disclosed
EP-3411061-A1 PROTEINACEOUS COMPOUNDS AND USES THEREFOR University of Canberra (AU) 2018-12-12 EP disclosed
EP-3387007-A1 PROTEINACEOUS MOLECULES AND METHODS OF USE The University of Queensland (AU) 2018-10-17 EP disclosed
WO-2017219081-A1 SPIDER VENOM PEPTIDES AND METHODS OF USE FOR MODULATING SODIUM CHANNELS. THE UNIVERSITY OF QUEENSLAND (AU) 2017-12-28 WO disclosed
WO-2017132728-A1 PROTEINACEOUS COMPOUNDS AND USES THEREFOR UNIVERSITY OF CANBERRA (AU) 2017-08-10 WO disclosed
WO-2017096431-A1 PROTEINACEOUS MOLECULES AND METHODS OF USE THE UNIVERSITY OF QUEENSLAND (AU) 2017-06-15 WO disclosed
EP-2922862-A1 COMPLEX-FORMATION-MODULATING AGENTS AND USES THEREFOR Queensland University Of Technology (AU) 2015-09-30 EP disclosed
WO-2014078896-A1 COMPLEX-FORMATION-MODULATING AGENTS AND USES THEREFOR QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2014-05-30 WO disclosed
EP-1222255-A1 POLYPEPTIDE FRAGMENTS COMPRISING C-TERMINAL PORTION OF HELICOBACTER CATALASE CSL LIMITED (AU) 2002-07-17 EP disclosed
WO-2002018603-A1 ISOMALTULOSE SYNTHASE THE UNIVERSITY OF QUEENSLAND (AU) 2002-03-07 WO disclosed
WO-2001098487-A1 POLYNUCLEOTIDES AND POLYPEPTIDES LINKED TO BLOOD PRESSURE REGULATION AND/OR FATIGUE THE UNIVERSITY OF QUEENSLAND (AU) 2001-12-27 WO disclosed
WO-2001090197-A1 SYNTHETIC PEPTIDES AND USES THEREFORE THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2001-11-29 WO disclosed
EP-1045859-A4 NOVEL SURFACE PROTEIN OF $i(NEISSERIA MENINGITIDIS) UNIV QUEENSLAND (AU) 2001-08-22 EP disclosed
WO-2001029198-A1 POLYPEPTIDE FRAGMENTS COMPRISING C-TERMINAL PORTION OF HELICOBACTER CATALASE CSL LIMITED (AU) 2001-04-26 WO disclosed
EP-1078003-A1 PLASMIN INHIBITORS FROM THE AUSTRALIAN BROWN SNAKE $i(PSEUDONAJA TEXTILIS TEXTILIS) THE UNIVERSITY OF QUEENSLAND (AU) 2001-02-28 EP disclosed
EP-1045859-A1 NOVEL SURFACE PROTEIN OF $i(NEISSERIA MENINGITIDIS) THE UNIVERSITY OF QUEENSLAND (AU) 2000-10-25 EP disclosed
WO-1999058569-A1 PLASMIN INHIBITORS FROM THE AUSTRALIAN BROWN SNAKE $i(PSEUDONAJA TEXTILIS TEXTILIS) THE UNIVERSITY OF QUEENSLAND (AU) 1999-11-18 WO disclosed
WO-1999031132-A1 NOVEL SURFACE PROTEIN OF $i(NEISSERIA MENINGITIDIS) THE UNIVERSITY OF QUEENSLAND (AU) 1999-06-24 WO disclosed