SCHEMBL6013883

SCHEMBL6013883

CSCC[C@H](NC(C)=O)C(=O)N1CCN(/[N+]([O-])=N/O)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCR1 P32246 1/20 0.37
UBE2N P61088 1/20 0.37
TSHR P16473 1/20 0.37
CCKBR P32239 1/20 0.36
TGM2 P21980 1/20 0.35
RCE1 Q9Y256 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL6013884 1.00 PPID (0.40) PPIDNPC1KMT2AKDM4EMEN1
SCHEMBL4860453 1.00 PPID (0.40) PPIDNPC1KMT2AKDM4EMEN1
SCHEMBL4853309 0.90 MEN1 (0.39) PPIDNPC1KMT2AKDM4EMEN1
SCHEMBL14066123 0.82 ALDH1A1 (0.37) KMT2AKDM4EALDH1A1GAAHSD17B10
SCHEMBL28491402 0.80 PPID (0.46) PPIDNPC1KMT2AKDM4EMEN1
SCHEMBL4859643 0.77 PPID (0.45) PPIDNPC1KMT2AKDM4EMEN1
SCHEMBL14066122 0.77 PPID (0.45) PPIDNPC1KMT2AKDM4EMEN1
SCHEMBL4863045 0.74 TSHR (0.53) PPIDNPC1KMT2AKDM4EMEN1
SCHEMBL14066124 0.74 TSHR (0.53) PPIDNPC1KMT2AKDM4EMEN1
SCHEMBL14066126 0.74 ALDH1A1 (0.36) KMT2AKDM4EALDH1A1GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666047-A1 Pharmaceutical compositions comprising nitric oxide-releasing pyrrolidones The Government of the United States of America As represented by the Secretary of the Department Of Health and Human Services (US) 2006-06-07 EP disclosed
EP-0793500-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITRIC OXIDE-RELEASING POLYSACCHARIDES US GOV HEALTH & HUMAN SERV (US) 2006-05-03 EP disclosed
US-6379660-B1 BIOPOLYMERS; ADMINISTERING THERAPY DOSAGE; ANTITUMOR AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-04-30 US disclosed
US-6200558-B1 PEPTIDE, POLYPEPTIDE, PROTEIN, OLIGONUCLEOTIDE OR NUCLEIC ACID, TO WHICH IS BOUND A NITRIC OXIDE-RELEASING N2O2-FUNCTIONAL GROUP THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-03-13 US disclosed
EP-0804177-A1 USE OF NITRIC OXIDE-RELEASING AGENTS FOR REDUCING METASTASIS RISK THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1997-11-05 EP disclosed
EP-0793500-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITRIC OXIDE-RELEASING BIOPOLYMERS THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-09-10 EP disclosed
WO-1996015781-A1 USE OF NITRIC OXIDE-RELEASING AGENTS FOR REDUCING METASTASIS RISK THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-05-30 WO disclosed
WO-1996015797-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITRIC OXIDE-RELEASING BIOPOLYMERS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-05-30 WO disclosed