SCHEMBL9795170

SCHEMBL9795170

CN(C)CCC(=O)NC1CCC(O[N+](=O)[O-])CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCHE P06276 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
FASN P49327 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL9501486 1.00 SMYD3 (0.37) SMYD3SMN1; SMN2ALDH1A1L3MBTL1BCHE
SCHEMBL9498706 1.00 SMYD3 (0.37) SMYD3SMN1; SMN2ALDH1A1L3MBTL1BCHE
Fumaric Acid SCHEMBL9795108 0.93 POLB (0.37) SMYD3SMN1; SMN2ALDH1A1L3MBTL1BCHE
SCHEMBL9137074 0.86 SMYD3 (0.37) SMYD3SMN1; SMN2ALDH1A1L3MBTL1BCHE
SCHEMBL9795290 0.86 ALDH1A1 (0.37) SMYD3SMN1; SMN2ALDH1A1L3MBTL1BCHE
SCHEMBL16741512 0.82 SMN1; SMN2 (0.50) SMYD3SMN1; SMN2ALDH1A1HDAC3HDAC1
SCHEMBL9497980 0.81 SMYD3 (0.44) SMYD3ALDH1A1L3MBTL1
SCHEMBL9795527 0.81 SMYD3 (0.44) SMYD3ALDH1A1L3MBTL1
SCHEMBL9497857 0.81 SMYD3 (0.44) SMYD3ALDH1A1L3MBTL1
SCHEMBL9501636 0.81 SMN1; SMN2 (0.34) SMYD3SMN1; SMN2ALDH1A1L3MBTL1HDAC3

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
US-5037849-A For treatment of heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed