SCHEMBL6573530

SCHEMBL6573530

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

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.74
LMNA P02545 4/20 0.69
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HTR1A P08908 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
KCNH2 Q12809 1/20 0.52
CD274 Q9NZQ7 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL6570770 0.93 LMNA (0.76) CYP2C19LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6571185 0.92 LMNA (0.71) CYP2C19LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9246238 0.86 LMNA (0.72) CYP2C19LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11474969 0.85 CYP2C19 (1.00) CYP2C19LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6569993 0.85 LMNA (0.68) CYP2C19LMNAMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11489984 0.84 CYP2C19 (0.98) CYP2C19LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3539705 0.83 LMNA (0.69) CYP2C19LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6573711 0.82 LMNA (0.73) CYP2C19LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL27672667 0.81 LMNA (0.66) CYP2C19LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL31504829 0.80 CYP2C19 (0.58) CYP2C19LMNAMEN1KMT2AALDH1A1

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 4 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 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
WO-2000013683-A2 NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-03-16 WO disclosed