SCHEMBL8094983

SCHEMBL8094983

C=C(Nc1ccccc1N)c1ccc(CNC(=O)O[C@H](C)c2cccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.55
HDAC3 O15379 12/20 0.55
HDAC2 Q92769 12/20 0.55
HDAC11 Q96DB2 10/20 0.55
HDAC8 Q9BY41 10/20 0.55
HDAC6 Q9UBN7 10/20 0.55
HDAC4 P56524 9/20 0.55
HDAC7 Q8WUI4 9/20 0.55
HDAC10 Q969S8 9/20 0.55
HDAC9 Q9UKV0 9/20 0.55
HDAC5 Q9UQL6 9/20 0.55
NCOR2 Q9Y618 3/20 0.55
CYP3A4 P08684 2/20 0.55
KDM1A O60341 1/20 0.55
F3 P13726 1/20 0.55
NAMPT P43490 2/20 0.46
KCNH2 Q12809 1/20 0.44
NCOR1 O75376 1/20 0.43

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
SCHEMBL3471941 0.91 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL3471896 0.91 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL3471894 0.91 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL8089914 0.82 HDAC1 (0.49) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL8087623 0.81 HDAC1 (0.82) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL3472636 0.80 ADRB1 (0.52) HDAC1NAMPT
SCHEMBL13110753 0.76 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL13110741 0.75 HDAC1 (0.62) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL8349026 0.75 HDAC1 (0.63) HDAC1HDAC3HDAC2HDAC11HDAC8
SCHEMBL8086107 0.75 ACACB (0.39) HDAC1HDAC3HDAC2HDAC11HDAC8

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