SCHEMBL17086722

SCHEMBL17086722

C[C@H]1CN(Cc2ccc(/C=C/C(=O)NO)cc2)CCN1Cc1cccc(CN2CCOCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.53
▸ HDAC4 P56524 10/20 0.53
▸ HDAC8 Q9BY41 10/20 0.53
▸ HDAC6 Q9UBN7 10/20 0.53
▸ HDAC3 O15379 9/20 0.53
▸ HDAC7 Q8WUI4 9/20 0.53
▸ HDAC2 Q92769 9/20 0.53
▸ HDAC10 Q969S8 9/20 0.53
▸ HDAC11 Q96DB2 9/20 0.53
▸ HDAC9 Q9UKV0 9/20 0.53
▸ HDAC5 Q9UQL6 9/20 0.53
▸ RAB9A P51151 1/20 0.52
▸ MAPK1 P28482 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MEF2D Q14814 1/20 0.46
▸ KCNH2 Q12809 2/20 0.46

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
SCHEMBL20432773 0.89 RAB9A (0.56) HDAC1HDAC4HDAC8HDAC6HDAC3
SCHEMBL20433060 0.89 RAB9A (0.56) HDAC1HDAC4HDAC8HDAC6HDAC3
SCHEMBL17079053 0.89 RAB9A (0.56) HDAC1HDAC4HDAC8HDAC6HDAC3
SCHEMBL17079054 0.89 RAB9A (0.56) HDAC1HDAC4HDAC8HDAC6HDAC3
SCHEMBL20432791 0.88 HDAC1 (0.55) HDAC1HDAC4HDAC8HDAC6HDAC3
SCHEMBL18711209 0.84 HDAC1 (0.56) HDAC1HDAC4HDAC8HDAC6HDAC3
SCHEMBL722626 0.81 LMNA (0.72) HDAC1HDAC4HDAC8HDAC6HDAC3
SCHEMBL722627 0.81 LMNA (0.72) HDAC1HDAC4HDAC8HDAC6HDAC3
SCHEMBL17078988 0.80 HDAC1 (0.56) HDAC1HDAC4HDAC8HDAC6HDAC3
SCHEMBL17078990 0.80 HDAC1 (0.56) HDAC1HDAC4HDAC8HDAC6HDAC3

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-2015137750-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-09-17 — — WO disclosed
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