SCHEMBL9795289

SCHEMBL9795289

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.39
BCHE P06276 1/20 0.35
XIAP P98170 2/20 0.33
GSR P00390 2/20 0.33
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.31
BLM P54132 1/20 0.31
CASP6 P55212 1/20 0.31
ARG1 P05089 1/20 0.30
ARG2 P78540 1/20 0.30
HTT P42858 1/20 0.30
KDM1A O60341 1/20 0.30
HPGD P15428 1/20 0.30
MELK Q14680 1/20 0.30

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
SCHEMBL9499642 1.00 SMYD3 (0.39) SMYD3BCHEXIAPGSRKMT2A
SCHEMBL9497748 1.00 SMYD3 (0.39) SMYD3BCHEXIAPGSRKMT2A
SCHEMBL9127243 0.86 BCHE (0.35) SMYD3BCHEGSRKMT2ALMNA
SCHEMBL9019559 0.86 BCHE (0.35) SMYD3BCHEGSRKMT2ALMNA
SCHEMBL9127652 0.85 BCHE (0.35) SMYD3BCHEGSRKMT2ALMNA
SCHEMBL9128912 0.83 LMNA (0.36) SMYD3BCHEKMT2ALMNABLM
SCHEMBL9019595 0.83 LMNA (0.36) SMYD3BCHEKMT2ALMNABLM
SCHEMBL9131574 0.82 ALDH1A1 (0.33) SMYD3BCHE
SCHEMBL9019572 0.81 MAPT (0.38) SMYD3BCHEKMT2ALMNACASP6
SCHEMBL9125829 0.81 MAPT (0.38) SMYD3BCHEKMT2ALMNACASP6

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