SCHEMBL9500004

SCHEMBL9500004

CC(C)(O[N+](=O)[O-])C(=O)NCCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.45
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 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
SCHEMBL9497614 0.87 ALDH1A1 (0.44) LMNAMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL9497954 0.83 LMNA (0.49) LMNATDP1MEN1KMT2AGAA
SCHEMBL13915561 0.83 TDP1 (0.58) LMNATDP1KMT2ATSHRCYP2C19
SCHEMBL2698834 0.79 LMNA (0.62) LMNATDP1TSHRSMN1; SMN2POLB
SCHEMBL2746896 0.77 LMNA (0.59) LMNATDP1GAATSHRSMN1; SMN2
SCHEMBL3826134 0.76 LMNA (0.61) LMNATDP1TSHRSMN1; SMN2POLB
SCHEMBL14640548 0.76 DRD2 (0.59) LMNATDP1TSHRSMN1; SMN2POLB
SCHEMBL13915560 0.75 LMNA (0.65) LMNATDP1GAASMN1; SMN2KDM4E
SCHEMBL9498431 0.75 TSHR (0.53) LMNATDP1MEN1KMT2AGAA
SCHEMBL10265328 0.74 LMNA (0.56) LMNATDP1TSHRSMN1; SMN2POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0367019-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING NITROXYALKYL AMINE WITH AN AMIDE FUNCTION, AND METHOD FOR THE PREPARATION OF THE COMPOUNDS Roche Diagnostics GmbH (DE) 1993-05-12 EP disclosed
US-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed
EP-0367019-A1 Pharmaceutical compositions containing nitroxyalkyl amine with an amide function, and method for the preparation of the compounds Roche Diagnostics GmbH (DE) 1990-05-09 EP disclosed