SCHEMBL9501636

SCHEMBL9501636

CN(C)CCC(=O)N[C@H]1CC[C@H](CO[N+](=O)[O-])CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
POLB P06746 1/20 0.32
FASN P49327 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL9795228 1.00 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1HPGDL3MBTL1SMYD3
SCHEMBL9498710 1.00 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1HPGDL3MBTL1SMYD3
SCHEMBL9795077 0.86 L3MBTL1 (0.35) SMN1; SMN2ALDH1A1L3MBTL1KMT2ATMEM97
SCHEMBL9499509 0.82 SMYD3 (0.42) SMN1; SMN2ALDH1A1L3MBTL1SMYD3
SCHEMBL9795275 0.82 SMYD3 (0.42) SMN1; SMN2ALDH1A1L3MBTL1SMYD3
SCHEMBL9499579 0.82 SMYD3 (0.42) SMN1; SMN2ALDH1A1L3MBTL1SMYD3
SCHEMBL9498706 0.81 SMYD3 (0.37) SMN1; SMN2ALDH1A1HPGDL3MBTL1SMYD3
SCHEMBL9501486 0.81 SMYD3 (0.37) SMN1; SMN2ALDH1A1HPGDL3MBTL1SMYD3
SCHEMBL9795170 0.81 SMYD3 (0.37) SMN1; SMN2ALDH1A1HPGDL3MBTL1SMYD3
SCHEMBL16741512 0.80 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDSMYD3KMT2A

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 1 patent. 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