SCHEMBL23476624

SCHEMBL23476624

CCC(=O)NCCCCCCCC(=O)Nc1ccc(CN)nc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HDAC6 Q9UBN7 14/20 0.46
▸ HDAC3 O15379 12/20 0.46
▸ HDAC4 P56524 12/20 0.46
▸ HDAC1 Q13547 12/20 0.46
▸ HDAC7 Q8WUI4 12/20 0.46
▸ HDAC2 Q92769 12/20 0.46
▸ HDAC10 Q969S8 12/20 0.46
▸ HDAC11 Q96DB2 12/20 0.46
▸ HDAC8 Q9BY41 12/20 0.46
▸ HDAC9 Q9UKV0 12/20 0.46
▸ HDAC5 Q9UQL6 12/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ LMNA P02545 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 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
SCHEMBL22149742 0.84 HDAC3 (0.42) SMN1; SMN2HDAC6HDAC3HDAC4HDAC1
SCHEMBL22150190 0.82 SMN1; SMN2 (0.41) SMN1; SMN2HDAC6HDAC3HDAC4HDAC1
SCHEMBL22149953 0.79 SMN1; SMN2 (0.45) SMN1; SMN2HDAC6HDAC3HDAC4HDAC1
SCHEMBL23810139 0.79 SMN1; SMN2 (0.42) SMN1; SMN2HDAC6HDAC3HDAC4HDAC1
SCHEMBL22150873 0.78 GAA (0.41) SMN1; SMN2HDAC6HDAC3HDAC4HDAC1
SCHEMBL22150194 0.75 GAA (0.43) SMN1; SMN2HDAC6HDAC3HDAC4HDAC1
SCHEMBL3731214 0.75 HDAC1 (0.74) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL2619354 0.72 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1
SCHEMBL22501648 0.72 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1LMNAPOLBALDH1A1
SCHEMBL29403601 0.72 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1LMNAPOLBALDH1A1

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-2021110700-A1 HYDROGEL ILLUMINA CAMBRIDGE LIMITED (GB) 2021-06-10 — — WO disclosed
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