SCHEMBL6573523

SCHEMBL6573523

O=C(NCCN1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.72
SMN1; SMN2 Q16637 1/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
CYP2C19 P33261 1/20 0.61
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 2/20 0.53
MAOB P27338 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL6573711 0.86 LMNA (0.73) LMNASMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL9246238 0.81 LMNA (0.72) LMNASMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL6569993 0.81 LMNA (0.68) LMNASMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL26757980 0.80 LMNA (0.78) LMNASMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL2969374 0.80 SMN1; SMN2 (0.74) LMNASMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL3578232 0.79 SMN1; SMN2 (0.47) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7527718 0.77 LMNA (0.77) LMNASMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL2961916 0.77 SMN1; SMN2 (0.67) LMNASMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL6573530 0.77 CYP2C19 (0.74) LMNASMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL2969262 0.77 SMN1; SMN2 (0.66) LMNASMN1; SMN2MEN1KMT2ACYP2C19

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 2 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