SCHEMBL5698972

SCHEMBL5698972

N=C(NOCCCN1CCCCC1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
LMNA P02545 1/20 0.52
MEN1 O00255 1/20 0.48
RAD52 P43351 1/20 0.48
KMT2A Q03164 1/20 0.48
LTA4H P09960 1/20 0.47
PTGS2 P35354 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
SLC6A2 P23975 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
RAB9A P51151 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
Hydrochloric Acid SCHEMBL3055260 0.99 LMNA (0.54) POLBLMNAMEN1RAD52KMT2A
Hydrochloric Acid SCHEMBL3059891 0.79 ALDH1A1 (0.53) KMT2AHRH3KDM4EALDH1A1
SCHEMBL5698976 0.79 ALDH1A1 (0.53) POLBLMNAMEN1RAD52KMT2A
SCHEMBL8480094 0.78 HRH3 (0.48) POLBLMNALTA4HHRH3GAA
Hydrochloric Acid SCHEMBL3055264 0.78 ALDH1A1 (0.53) POLBLMNAMEN1RAD52KMT2A
Hydrochloric Acid SCHEMBL3077447 0.77 HRH3 (0.48) POLBLMNALTA4HHRH3GAA
SCHEMBL3064562 0.77 POLB (0.50) POLBLMNAMEN1RAD52KMT2A
SCHEMBL3556745 0.77 POLB (0.50) POLBLMNAMEN1RAD52KMT2A
SCHEMBL3064563 0.77 POLB (0.50) POLBLMNAMEN1RAD52KMT2A
Hydrochloric Acid SCHEMBL3067120 0.76 POLB (0.49) POLBLMNAMEN1RAD52KMT2A

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-0966283-B1 PHARMACEUTICAL PRODUCTS FOR CURING AND PREVENTING DISEASES RESULTING FROM THE DAMAGING OF THE VASCULAR ENDOTHELIAL CELLS CYTRX CORP (US) 2006-06-14 EP disclosed
US-6143741-A TREATING OR PREVENTING ILLNESSES RESULTING FROM DAMAGED ENDOTHELIAL CELLS SUCH AS ATHEROSCLEROSIS, THROMBOSIS, RESTENOSIS, VESSEL SPASM BY ADMINISTERING HYDROXYLAMINE DERIVATIVE BIOREX Kutato es Fejleszo Rt. (HU) 2000-11-07 US disclosed
EP-0966283-A2 PHARMACEUTICAL PRODUCTS FOR CURING AND PREVENTING ILLNESSES CONNECTED WITH THE MALFUNCTION OF VASCULAR ENDOTHELIAL CELLS BIOREX RT. (HU) 1999-12-29 EP disclosed
US-5919796-A ANTIISCHEMIC AGENTS BIOREX KUTATO ES FEJLESZTO RT. (HU) 1999-07-06 US disclosed
EP-0758315-B1 NOVEL HYDROXIMIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME BIOREX KUTATO FEJLESZTOE KFT (HU) 1998-08-26 EP disclosed
WO-1998006400-A2 PHARMACEUTICAL PRODUCTS FOR CURING AND PREVENTING ILLNESSES CONNECTED WITH THE MALFUNCTION OF VASCULAR ENDOTHELIAL CELLS BIOREX KUTATÓ ÉS FEJLESZTO^' RT. (HU) 1998-02-19 WO disclosed
EP-0758315-A1 NOVEL HYDROXIMIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME BIOREX KUTATO ES FEJLESZTÖ RT. (HU) 1997-02-19 EP disclosed
WO-1995030649-A1 NOVEL HYDROXIMIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME BIOREX KUTATÓ ÉS FEJLESZTO^' RT. (HU) 1995-11-16 WO disclosed