SCHEMBL20432791

SCHEMBL20432791

C[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc(/C=C/C(=O)NO)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 15/20 0.55
▸ KCNH2 Q12809 6/20 0.55
▸ HDAC8 Q9BY41 8/20 0.54
▸ HDAC3 O15379 7/20 0.54
▸ HDAC2 Q92769 7/20 0.54
▸ HDAC4 P56524 6/20 0.54
▸ HDAC7 Q8WUI4 6/20 0.54
▸ HDAC10 Q969S8 6/20 0.54
▸ HDAC11 Q96DB2 6/20 0.54
▸ HDAC6 Q9UBN7 6/20 0.54
▸ HDAC9 Q9UKV0 6/20 0.54
▸ HDAC5 Q9UQL6 6/20 0.54

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
SCHEMBL17086722 0.88 HDAC1 (0.53) HDAC1KCNH2HDAC8HDAC3HDAC2
SCHEMBL20432658 0.85 HDAC1 (0.58) HDAC1KCNH2HDAC8HDAC3HDAC2
SCHEMBL17078968 0.85 HDAC1 (0.58) HDAC1KCNH2HDAC8HDAC3HDAC2
SCHEMBL17078556 0.85 HDAC1 (0.58) HDAC1KCNH2HDAC8HDAC3HDAC2
SCHEMBL20432790 0.85 HDAC1 (0.58) HDAC1KCNH2HDAC8HDAC3HDAC2
SCHEMBL17078553 0.85 HDAC1 (0.58) HDAC1KCNH2HDAC8HDAC3HDAC2
SCHEMBL17078970 0.85 HDAC1 (0.58) HDAC1KCNH2HDAC8HDAC3HDAC2
SCHEMBL724056 0.85 HDAC1 (0.69) HDAC1KCNH2HDAC8HDAC3HDAC2
SCHEMBL1486886 0.85 HDAC1 (0.69) HDAC1KCNH2HDAC8HDAC3HDAC2
SCHEMBL20432866 0.83 HDAC1 (0.55) HDAC1KCNH2HDAC8HDAC3HDAC2

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
EP-3116859-B1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-08-01 — — EP disclosed
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