SCHEMBL6573537

SCHEMBL6573537

NC(=O)c1cc(N2CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.61
CYP3A4 P08684 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
SIRT6 Q8N6T7 6/20 0.61
LMNA P02545 1/20 0.55
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RECQL P46063 1/20 0.51
THRB P10828 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.50

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
SCHEMBL27249081 0.94 LMNA (0.64) MAPTCYP3A4BLMPMP22SIRT6
SCHEMBL13312473 0.93 SIRT6 (0.73) MAPTCYP3A4BLMPMP22SIRT6
SCHEMBL3763530 0.93 LMNA (0.62) MAPTCYP3A4BLMPMP22SIRT6
SCHEMBL23293980 0.92 SIRT6 (0.54) MAPTCYP3A4BLMPMP22SIRT6
SCHEMBL23316217 0.91 SIRT6 (0.53) MAPTCYP3A4BLMPMP22SIRT6
SCHEMBL144859 0.90 MAPT (0.76) MAPTCYP3A4BLMPMP22SIRT6
SCHEMBL30947767 0.89 SIRT6 (0.52) MAPTCYP3A4BLMPMP22SIRT6
SCHEMBL23293957 0.89 SIRT6 (0.52) MAPTCYP3A4BLMPMP22SIRT6
SCHEMBL21633188 0.84 MAPT (0.64) MAPTCYP3A4BLMPMP22SIRT6
SCHEMBL30947738 0.84 MAPT (0.64) MAPTCYP3A4BLMPMP22SIRT6

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