SCHEMBL6570095

SCHEMBL6570095

NC(=O)c1c([N+](=O)[O-])ccc(N2CC2)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
CYP3A4 P08684 2/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
ALDH1A1 P00352 6/20 0.51
GAA P10253 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
PKM P14618 2/20 0.51
HTT P42858 3/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 4/20 0.48
CTPS1 P17812 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.44
NOD1 Q9Y239 1/20 0.44
CTSB P07858 1/20 0.43
AR P10275 1/20 0.43
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL4934814 0.78 MAPT (0.55) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL6570089 0.74 TDP1 (0.47) MAPTCYP3A4ALDH1A1L3MBTL1LMNA
SCHEMBL6571203 0.74 MAPT (0.54) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL3503304 0.74 ALDH1A1 (0.68) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL801350 0.74 MAPT (0.43) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL1535140 0.73 MAPT (0.52) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL366886 0.73 MAPT (0.52) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL2471909 0.70 HTT (0.54) MAPTALDH1A1GAAL3MBTL1HTT
SCHEMBL11044039 0.69 KDM4E (0.47) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL6807284 0.69 GPR35 (0.61) ALDH1A1L3MBTL1LMNAPOLBSMN1; SMN2

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 7 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
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
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