SCHEMBL6569993

SCHEMBL6569993

O=C(NCCN1CCOCC1)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.68
CYP2C19 P33261 1/20 0.67
ALDH1A1 P00352 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.60
GAA P10253 1/20 0.58
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL6572262 0.94 SMN1; SMN2 (0.69) LMNACYP2C19ALDH1A1L3MBTL1MEN1
SCHEMBL6573527 0.93 SMN1; SMN2 (0.65) LMNACYP2C19ALDH1A1L3MBTL1MEN1
SCHEMBL6573530 0.85 CYP2C19 (0.74) LMNACYP2C19ALDH1A1L3MBTL1MEN1
SCHEMBL9246238 0.85 LMNA (0.72) LMNACYP2C19ALDH1A1L3MBTL1MEN1
SCHEMBL27672667 0.81 LMNA (0.66) LMNACYP2C19ALDH1A1L3MBTL1MEN1
SCHEMBL6573523 0.81 LMNA (0.72) LMNACYP2C19ALDH1A1L3MBTL1MEN1
SCHEMBL11474969 0.80 CYP2C19 (1.00) LMNACYP2C19ALDH1A1L3MBTL1MEN1
SCHEMBL6570770 0.79 LMNA (0.76) LMNACYP2C19ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL11489984 0.79 CYP2C19 (0.98) LMNACYP2C19ALDH1A1L3MBTL1MEN1
SCHEMBL6571185 0.78 LMNA (0.71) LMNACYP2C19ALDH1A1MEN1KMT2A

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-1109550-B1 NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS AUCKLAND UNISERVICES LTD (NZ) 2004-11-24 EP claimed
US-6517836-B1 Aziridin-1-yl nitrobenzamides as prodrugs in conjunction with nitroreductase enzymes AUCKLAND UNISERVICES LIMITED (NZ) 2003-02-11 US claimed
EP-1109550-A2 NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2001-06-27 EP claimed
WO-2000013683-A2 NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-03-16 WO claimed
EP-1109550-B1 NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS AUCKLAND UNISERVICES LTD (NZ) 2004-11-24 EP disclosed
EP-1109550-B1 NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS AUCKLAND UNISERVICES LTD (NZ) 2004-11-24 EP disclosed
US-6517836-B1 Aziridin-1-yl nitrobenzamides as prodrugs in conjunction with nitroreductase enzymes AUCKLAND UNISERVICES LIMITED (NZ) 2003-02-11 US disclosed
US-6517836-B1 Aziridin-1-yl nitrobenzamides as prodrugs in conjunction with nitroreductase enzymes AUCKLAND UNISERVICES LIMITED (NZ) 2003-02-11 US disclosed
EP-1109550-A2 NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2001-06-27 EP disclosed
EP-1109550-A2 NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2001-06-27 EP disclosed
WO-2000013683-A3 NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS CANCER RES CAMPAIGN TECH (GB) 2000-07-13 WO disclosed
WO-2000013683-A2 NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-03-16 WO disclosed
WO-2000013683-A2 NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-03-16 WO disclosed