SCHEMBL23925263

SCHEMBL23925263

C#CCN(NC(N)=O)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNQ4 P56696 3/20 0.34
KCNQ5 Q9NR82 3/20 0.34
CA14 Q9ULX7 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL28663681 0.85 HDAC6 (0.34) KCNQ4KCNQ5CA14HDAC1HDAC2
SCHEMBL15268917 0.85 AKT1 (0.40) KCNQ4KCNQ5CA14
SCHEMBL22619240 0.77 CA14 (0.41) CA14HDAC1HDAC2HDAC6
SCHEMBL1207293 0.73 CA14 (0.39) KCNQ4KCNQ5CA14HDAC1HDAC2
SCHEMBL6692478 0.73 HDAC6 (0.36) KCNQ4KCNQ5CA14HDAC1HDAC2
SCHEMBL20029121 0.72 CA14 (0.34) KCNQ4KCNQ5CA14HDAC1HDAC2
SCHEMBL23925352 0.72 HDAC6 (0.34) KCNQ4KCNQ5HDAC1HDAC2HDAC6
SCHEMBL1743767 0.72 HDAC6 (0.35) KCNQ4KCNQ5CA14HDAC1HDAC2
SCHEMBL30897721 0.70 HDAC6 (0.34) KCNQ4KCNQ5CA14HDAC1HDAC2
SCHEMBL1696194 0.70 HDAC6 (0.35) KCNQ4KCNQ5HDAC1HDAC2HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174965-A1 METHODS AND PRODUCTS UNIV BIRMINGHAM (GB) 2023-06-08 US disclosed
EP-4136223-A2 METHODS AND PRODUCTS The University Of Birmingham (GB) 2023-02-22 EP disclosed
WO-2021209765-A2 METHODS AND PRODUCTS THE UNIVERSITY OF BIRMINGHAM (GB) 2021-10-21 WO disclosed