SCHEMBL8319218

SCHEMBL8319218

CNC(=O)c1[nH]c(Cc2ccc(/C=C/C(=O)NOC3CCCCO3)cc2)nc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.40
HDAC8 Q9BY41 10/20 0.40
HDAC6 Q9UBN7 10/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
MGLL Q99685 1/20 0.39
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
AGTR1 P30556 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 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
SCHEMBL8323965 0.92 HDAC1 (0.41) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8327941 0.90 HDAC1 (0.38) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8323566 0.85 MAPT (0.35) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8324372 0.84 HDAC1 (0.41) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8321047 0.84 HDAC1 (0.41) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8322776 0.83 MGLL (0.40) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8323882 0.83 HDAC1 (0.39) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8327938 0.82 HDAC1 (0.39) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8323569 0.82 MGLL (0.41) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL8322800 0.82 MGLL (0.41) HDAC1HDAC8HDAC6HDAC3HDAC4

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-2004063169-A1 HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-07-29 WO disclosed