SCHEMBL25253452

SCHEMBL25253452

Nc1ccc(C(=O)NCCCCCCNC(=O)O)cc1F

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC3 O15379 11/20 0.55
NCOR2 Q9Y618 2/20 0.50
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL25721164 0.81 HDAC1 (0.48) HDAC1HDAC6HDAC3NCOR2
SCHEMBL30448505 0.81 HDAC1 (0.48) HDAC1HDAC6HDAC3NCOR2
SCHEMBL13575595 0.81 HPGD (0.56) HDAC1HDAC6HDAC3L3MBTL1
SCHEMBL767860 0.79 HDAC1 (0.48) HDAC1HDAC6HDAC3NCOR2HDAC2
SCHEMBL15631040 0.79 HDAC1 (0.63) HDAC1HDAC6HDAC3MAPK1
SCHEMBL15630979 0.79 HDAC1 (0.63) HDAC1HDAC6HDAC3MAPK1
SCHEMBL15610485 0.79 HDAC1 (0.63) HDAC1HDAC6HDAC3MAPK1
SCHEMBL25232222 0.79 ALDH1A1 (0.52) HDAC1HDAC6HDAC3L3MBTL1HDAC2
SCHEMBL29582367 0.79 NPC1 (0.65) HDAC1HDAC6HDAC3MAPK1L3MBTL1
SCHEMBL25212149 0.78 HDAC3 (0.46) HDAC1HDAC6HDAC3NCOR2

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-2023091565-A1 NSD2-TARGETED CHEMICAL DEGRADERS AND COMPOSITIONS AND METHODS OF USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-05-25 WO disclosed