SCHEMBL25666366

SCHEMBL25666366

CCCC(=O)NCc1ccc(/C(N)=N/N=C\N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TPSAB1 Q15661 4/20 0.45
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PRSS1 P07477 1/20 0.43
HTT P42858 1/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL21300881 0.85 TPSAB1 (0.50) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL25671183 0.79 HDAC1 (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL27253657 0.79 HDAC1 (0.40) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL23032115 0.78 L3MBTL1 (0.58) CYP3A4L3MBTL1ALDH1A1EPHX2
SCHEMBL24267754 0.78 NAMPT (0.49) HDAC1HDAC10HDAC6L3MBTL1EPHX2
SCHEMBL8269694 0.76 HDAC1 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL21470193 0.76 TPSAB1 (0.40) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL675573 0.75 HDAC6 (0.83) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL9787297 0.74 CYP3A4 (0.64) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL21471635 0.73 TPSAB1 (0.40) HDAC1HDAC3HDAC4HDAC7HDAC2

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
EP-4245744-A2 CHEMICALLY CLEAVABLE GROUP Tagworks Pharmaceuticals B.V. (NL) 2023-09-20 EP disclosed
EP-2922574-B1 CHEMICALLY CLEAVABLE GROUP TAGWORKS PHARMACEUTICALS B V (NL) 2023-05-17 EP disclosed