SCHEMBL25026065

SCHEMBL25026065

CNC(=O)CCCCN=[N+]=[N-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.34
ALOX5 P09917 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
IDUA P35475 1/20 0.33
THRB P10828 1/20 0.32
HSP90AA1 P07900 1/20 0.32
NAMPT P43490 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
FAAH O00519 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
SCHEMBL19079656 0.98 CNR2 (0.42) CNR2LMNAPOLBALOX5HDAC3
SCHEMBL15581632 0.94 LMNA (0.40) CNR2LMNAPOLBALOX5HDAC3
SCHEMBL18510218 0.85
SCHEMBL18925537 0.85
SCHEMBL26869086 0.80 CNR2 (0.34) CNR2LMNAPOLBALOX5
SCHEMBL14328132 0.80 HDAC8 (0.60) ALOX5HDAC3HDAC1HDAC2HDAC8
SCHEMBL26667252 0.80 ALDH1A1 (0.44) CNR2ALOX5HDAC3HDAC1HDAC2
SCHEMBL18019146 0.78 ALDH1A1 (0.47) CNR2LMNAHDAC3HDAC1HDAC2
SCHEMBL14129575 0.78 ALDH1A1 (0.47) CNR2LMNAHDAC3HDAC1HDAC2
SCHEMBL18089125 0.78 FAAH (0.46) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023017271-A1 PEPTIDE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-02-16 WO disclosed
US-20110262991-A1 Living Copolymer-Protein/Peptide Hybrids for Biomedical Applications THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2011-10-27 US disclosed
US-20110262991-A1 Living Copolymer-Protein/Peptide Hybrids for Biomedical Applications THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2011-10-27 US disclosed