SCHEMBL19734600

SCHEMBL19734600

O=CNCC1(O)CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.35
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 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
SCHEMBL3086675 0.84
SCHEMBL18924784 0.80
SCHEMBL6823774 0.78 ADH1B (0.35)
SCHEMBL14138921 0.72 SMYD3 (0.33) SMYD3KDM4EKMT2A
SCHEMBL10641279 0.72 MAPK1 (0.32) KMT2A
SCHEMBL23667165 0.72
SCHEMBL17780232 0.71 KDM4E (0.38) SMYD3KDM4EKMT2A
SCHEMBL22779734 0.71
SCHEMBL21551515 0.71 SMYD3 (0.44) SMYD3KDM4EKMT2A
SCHEMBL1313231 0.71 SMYD3 (0.44) SMYD3KDM4EKMT2A

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
WO-2017216726-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
WO-2017216727-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed