SCHEMBL13625350

SCHEMBL13625350

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

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 17/20 0.60
KMT2A Q03164 1/20 0.39

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
SCHEMBL3401705 1.00 SMYD3 (0.60) SMYD3KMT2A
SCHEMBL10257034 0.89
SCHEMBL572811 0.86 SMYD3 (0.62) SMYD3KMT2A
SCHEMBL572810 0.86 SMYD3 (0.62) SMYD3KMT2A
SCHEMBL10206026 0.86 SMYD3 (0.62) SMYD3KMT2A
Hydrochloric Acid SCHEMBL572762 0.84 SMYD3 (0.60) SMYD3KMT2A
Hydrochloric Acid SCHEMBL572763 0.84 SMYD3 (0.60) SMYD3KMT2A
SCHEMBL8006185 0.82 EPHX1 (0.52) SMYD3KMT2A
SCHEMBL3502524 0.81 SMYD3 (0.41) SMYD3KMT2A
SCHEMBL3502526 0.81 SMYD3 (0.41) SMYD3KMT2A

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
WO-2009132980-A1 PYRIMIDINYL PYRIDONE INHIBITORS OF JNK. F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed