SCHEMBL8086107

SCHEMBL8086107

C=C(Nc1ccccc1O)c1ccc([C@H](C)NC(=O)O[C@@H](C)c2cccnc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
KCNA5 P22460 3/20 0.38
CYP17A1 P05093 2/20 0.38
CYP19A1 P11511 2/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C9 P11712 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL13110817 0.90 HDAC1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13111013 0.86 HDAC1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8091640 0.84 MEN1 (0.46) ALDH1A1GAAKMT2ANPC1RAB9A
SCHEMBL8091140 0.80 ALDH1A1 (0.48) HDAC3HDAC1HDAC2ALDH1A1KMT2A
SCHEMBL13110753 0.80 HDAC1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13110821 0.79 ALDH1A1 (0.50) ACACBHDAC3HDAC4HDAC1HDAC7
SCHEMBL13110790 0.79 ALDH1A1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8097600 0.79 ALDH1A1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13111004 0.77 ALDH1A1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13111010 0.77 ALDH1A1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2009015237-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed