SCHEMBL23936853

SCHEMBL23936853

N[C@H]1CCCC(C(=O)NI)C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 13/20 0.41
SMYD3 Q9H7B4 2/20 0.40
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CDK9 P50750 2/20 0.33
HSD11B1 P28845 1/20 0.32
KDM1A O60341 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
SCHEMBL23936791 1.00 ULK1 (0.41) ULK1SMYD3HDAC8HDAC6CDK9
SCHEMBL21423913 0.81
SCHEMBL19102446 0.80
SCHEMBL23936854 0.80 CHRNB2 (0.41) ULK1SMYD3HDAC8HDAC6CDK9
SCHEMBL24276012 0.80 CHRNB2 (0.41) ULK1SMYD3HDAC8HDAC6CDK9
SCHEMBL8267270 0.80 CHRNB2 (0.41) ULK1SMYD3HDAC8HDAC6CDK9
SCHEMBL23685719 0.80 CHRNB2 (0.41) ULK1SMYD3HDAC8HDAC6CDK9
SCHEMBL30803159 0.80 CHRNB2 (0.41) ULK1SMYD3HDAC8HDAC6CDK9
SCHEMBL29860009 0.78 SMYD3 (0.58) ULK1SMYD3HSD11B1
Hydrochloric Acid SCHEMBL30397156 0.78 ULK1 (0.40) ULK1SMYD3HDAC8HDAC6CDK9

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-3475277-B1 ANTI-INFECTIVE HETEROCYCLIC COMPOUNDS AND USES THEREOF BIOIMICS AB (SE) 2021-10-20 EP disclosed