SCHEMBL6571185

SCHEMBL6571185

O=C(NCCCCN1CCOCC1)c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.71
SMN1; SMN2 Q16637 1/20 0.66
CYP2C19 P33261 1/20 0.64
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 5/20 0.54
RAB9A P51151 1/20 0.54
MAOB P27338 1/20 0.52
APOBEC3G Q9HC16 1/20 0.51

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 0.97 LMNA (0.76) LMNASMN1; SMN2CYP2C19KMT2AMEN1
SCHEMBL6573530 0.92 CYP2C19 (0.74) LMNASMN1; SMN2CYP2C19KMT2AMEN1
SCHEMBL6573527 0.86 SMN1; SMN2 (0.65) LMNASMN1; SMN2CYP2C19KMT2AMEN1
SCHEMBL6572262 0.83 SMN1; SMN2 (0.69) LMNASMN1; SMN2CYP2C19KMT2AMEN1
SCHEMBL2969374 0.80 SMN1; SMN2 (0.74) LMNASMN1; SMN2CYP2C19KMT2AMEN1
SCHEMBL9246238 0.79 LMNA (0.72) LMNASMN1; SMN2CYP2C19KMT2AMEN1
SCHEMBL6569993 0.78 LMNA (0.68) LMNASMN1; SMN2CYP2C19KMT2AMEN1
SCHEMBL11474969 0.78 CYP2C19 (1.00) LMNASMN1; SMN2CYP2C19KMT2AMEN1
Hydrochloric Acid SCHEMBL11489984 0.77 CYP2C19 (0.98) LMNASMN1; SMN2CYP2C19KMT2AMEN1
SCHEMBL27672667 0.77 LMNA (0.66) LMNASMN1; SMN2CYP2C19KMT2AMEN1

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