SCHEMBL6573581

SCHEMBL6573581

CN(CCN1CCOCC1)C(=O)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
CYP3A4 P08684 2/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
ALDH1A1 P00352 7/20 0.46
LMNA P02545 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.45
CYP2C19 P33261 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL6572084 0.86 CYP2C19 (0.49) MAPTALDH1A1LMNAGAACYP2C19
SCHEMBL6569993 0.78 LMNA (0.68) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL15574248 0.78 THRB (0.40) MAPTALDH1A1LMNAL3MBTL1GAA
SCHEMBL15573363 0.78 KMT2A (0.39) MAPTALDH1A1LMNAL3MBTL1GAA
SCHEMBL15574219 0.78 LMNA (0.39) ALDH1A1LMNAL3MBTL1GAACYP2C19
SCHEMBL5827633 0.78 MAPT (0.67) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL6572262 0.77 SMN1; SMN2 (0.69) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL6573527 0.76 SMN1; SMN2 (0.65) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL28153041 0.74 KDM4E (0.61) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL15573622 0.73 THRB (0.38) MAPTALDH1A1LMNACYP2C19SMN1; 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 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