SCHEMBL8204490

SCHEMBL8204490

C=C(NO)c1cnc(N2CCC(NCc3ccc(CN[C@H](C(=C)OC4CCCC4)c4ccccc4)cc3)CC2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.37
HDAC3 O15379 9/20 0.37
HDAC4 P56524 9/20 0.37
HDAC1 Q13547 9/20 0.37
HDAC7 Q8WUI4 9/20 0.37
HDAC2 Q92769 9/20 0.37
HDAC10 Q969S8 9/20 0.37
HDAC11 Q96DB2 9/20 0.37
HDAC8 Q9BY41 9/20 0.37
HDAC9 Q9UKV0 9/20 0.37
HDAC5 Q9UQL6 9/20 0.37
DGAT2 Q96PD7 4/20 0.37
KDM1A O60341 2/20 0.35
ACHE P22303 2/20 0.33
BACE1 P56817 2/20 0.33
BCHE P06276 1/20 0.33
CXCR4 P61073 1/20 0.33
MOGAT2 Q3SYC2 1/20 0.33
MMP2 P08253 1/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL8203498 0.84 DGAT2 (0.35) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL13007262 0.84 HDAC1 (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL13007264 0.72 HDAC6 (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3773002 0.70 HDAC1 (0.45) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3772993 0.70 HDAC1 (0.45) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL13061239 0.70 HDAC6 (0.55) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8205770 0.70 DGAT2 (0.43) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL15906826 0.69 HDAC6 (0.44) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL13007259 0.69 HDAC6 (0.46) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8194315 0.68 HDAC3 (0.59) HDAC6HDAC3HDAC4HDAC1HDAC7

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-2008053131-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed