SCHEMBL9501759

SCHEMBL9501759

CC(N)C(=O)NC[C@H]1CC[C@@H](O[N+](=O)[O-])CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
ARG1 P05089 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 2/20 0.36
HDAC8 Q9BY41 1/20 0.33
TSHR P16473 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
ALDH1A1 P00352 1/20 0.31
BCHE P06276 1/20 0.31
F10 P00742 2/20 0.31
PRSS1 P07477 2/20 0.31
BUB1 O43683 1/20 0.31

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
SCHEMBL9497914 1.00 L3MBTL1 (0.40) L3MBTL1ARG1TDP1KMT2AHDAC8
SCHEMBL9019503 0.82 TDP1 (0.40) L3MBTL1TDP1ATG4BALDH1A1BCHE
SCHEMBL28655000 0.82 TDP1 (0.54) ARG1TDP1KMT2ATSHRALDH1A1
SCHEMBL8239366 0.82 TDP1 (0.54) ARG1TDP1KMT2ATSHRALDH1A1
SCHEMBL28654997 0.82 TDP1 (0.54) ARG1TDP1KMT2ATSHRALDH1A1
SCHEMBL9795326 0.81 TDP1 (0.61) L3MBTL1TDP1ATG4BALDH1A1BCHE
SCHEMBL9795492 0.81 L3MBTL1 (0.34) L3MBTL1TDP1
SCHEMBL9795460 0.78 TDP1 (0.41) ARG1TDP1ATG4BALDH1A1BCHE
SCHEMBL9497748 0.78 SMYD3 (0.39) ARG1KMT2ABCHE
SCHEMBL9795289 0.78 SMYD3 (0.39) ARG1KMT2ABCHE

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-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
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