SCHEMBL8001897

SCHEMBL8001897

Cc1ccccc1NC(=O)CCCCNC1=C(C(=N)C(F)(F)F)CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.48
HDAC3 O15379 4/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
ALDH1A1 P00352 2/20 0.44
MAPT P10636 3/20 0.42
NCOR2 Q9Y618 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ANO1 Q5XXA6 2/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8004237 0.82 HDAC4 (0.49) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL8003733 0.79 HPGD (0.51) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL7991511 0.73 POLB (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL12953486 0.72 ALDH1A1 (0.51) HDAC6ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL27291375 0.71 HDAC3 (0.84) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL11446154 0.67 HDAC3 (0.77) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL7562125 0.67 HDAC3 (0.71) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL26624031 0.66 HDAC3 (0.74) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL5968938 0.66 HDAC3 (0.74) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1066412 0.66 HDAC3 (0.74) HDAC1HDAC3HDAC2HDAC4HDAC7

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-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed