SCHEMBL27798482

SCHEMBL27798482

CCCC(=N)c1ccc(C(C(=O)NO)c2cccc(F)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 0.63
HDAC7 Q8WUI4 5/20 0.63
HDAC5 Q9UQL6 5/20 0.63
HDAC6 Q9UBN7 4/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC3 O15379 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
SLC6A9 P48067 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
ANPEP P15144 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL27777116 0.86 HDAC4 (0.58) HDAC4HDAC7HDAC5HDAC6HDAC1
SCHEMBL27798374 0.83 HDAC4 (0.54) HDAC4HDAC7HDAC5HDAC6HDAC1
SCHEMBL4536216 0.79 HDAC4 (1.00) HDAC4HDAC7HDAC5HDAC6HDAC1
SCHEMBL2847290 0.77 HDAC4 (0.68) HDAC4HDAC7HDAC5HDAC6HDAC1
SCHEMBL4540010 0.75 HDAC4 (0.73) HDAC4HDAC7HDAC5HDAC6HDAC1
SCHEMBL27777325 0.71 HDAC4 (0.48) HDAC4HDAC7HDAC5HDAC6HDAC1
SCHEMBL20490635 0.71 HDAC4 (0.74) HDAC4HDAC7HDAC5HDAC6HDAC1
SCHEMBL2839652 0.70 HDAC4 (0.68) HDAC4HDAC7HDAC5HDAC6HDAC1
SCHEMBL20490631 0.70 HDAC4 (0.68) HDAC4HDAC7HDAC5HDAC6HDAC1
SCHEMBL2841130 0.68 HDAC4 (0.64) HDAC4HDAC7HDAC5HDAC6HDAC1

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
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN claimed
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN disclosed