SCHEMBL6573711

SCHEMBL6573711

O=C(NCCN1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.73
CYP2C19 P33261 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
HTR1A P08908 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
KCNH2 Q12809 1/20 0.50
CD274 Q9NZQ7 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
SCHEMBL2969374 0.94 SMN1; SMN2 (0.74) LMNACYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL6573523 0.86 LMNA (0.72) LMNACYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL6573530 0.82 CYP2C19 (0.74) LMNACYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL11474969 0.81 CYP2C19 (1.00) LMNACYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL26757980 0.81 LMNA (0.78) LMNACYP2C19SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL11489984 0.80 CYP2C19 (0.98) LMNACYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL9246238 0.80 LMNA (0.72) LMNACYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL2966985 0.79 KMT2A (0.46) LMNACYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL7527718 0.78 LMNA (0.77) LMNACYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL13338187 0.78 KMT2A (0.47) LMNAMEN1KMT2AALDH1A1L3MBTL1

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