SCHEMBL16804456

SCHEMBL16804456

NC(=O)c1ccc(Cn2ccc3cc(N4CCOCC4)cnc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 4/20 0.46
▸ MAPKAPK5 Q8IW41 1/20 0.44
▸ JAK2 O60674 1/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GLO1 Q04760 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ SIRT3 Q9NTG7 1/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CB P42338 1/20 0.40

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
SCHEMBL16804277 0.88 HDAC6 (0.52) STAT6HDAC6PIK3CA
SCHEMBL16804373 0.87 STAT6 (0.46) STAT6PIK3CAMAPK1KMT2ASMN1; SMN2
SCHEMBL20525319 0.86 STAT6 (0.42) STAT6JAK2PIK3CAMAPK1PIK3CD
SCHEMBL16804451 0.86 GLO1 (0.41) STAT6GLO1
SCHEMBL16804452 0.83 PDE1B (0.42) HDAC6MAPK1GLO1KMT2A
SCHEMBL18852777 0.78 SMN1; SMN2 (0.53) STAT6SMN1; SMN2
SCHEMBL18126845 0.78 SMN1; SMN2 (0.53) HDAC6PIK3CAHDAC3HDAC2SMN1; SMN2
SCHEMBL16794784 0.78 HRH4 (0.46) STAT6MAPK1KMT2A
SCHEMBL16804195 0.75 METAP2 (0.45) STAT6MAPK1HDAC3HDAC2
SCHEMBL18126841 0.75 SMN1; SMN2 (0.51) HDAC6PIK3CAHDAC3HDAC2SMN1; SMN2

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-2015087151-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-06-18 — — WO disclosed
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