SCHEMBL17484002

SCHEMBL17484002

CN(Cc1ccc(/C=C/C(=O)Nc2ccccc2N)cc1)CC12CC3C1=CCC=C32

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 15/20 0.53
▸ HDAC2 Q92769 2/20 0.47
▸ MAOA P21397 2/20 0.47
▸ KDM1A O60341 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ BCHE P06276 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ RARB P10826 1/20 0.43

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
SCHEMBL17483987 1.00 HDAC1 (0.53) HDAC1HDAC2MAOAKDM1AHDAC3
SCHEMBL17484025 0.86 ACHE (0.45) HDAC1HDAC2MAOAKDM1AHDAC3
SCHEMBL19683022 0.82 HDAC1 (0.71) HDAC1HDAC2MAOAKDM1AHDAC3
SCHEMBL17478531 0.82 HDAC1 (0.71) HDAC1HDAC2MAOAKDM1AHDAC3
SCHEMBL19666050 0.82 HDAC1 (0.71) HDAC1HDAC2MAOAKDM1AHDAC3
SCHEMBL17478501 0.82 HDAC1 (0.71) HDAC1HDAC2MAOAKDM1AHDAC3
SCHEMBL17484019 0.81 HDAC6 (0.49) HDAC1HDAC2MAOAHDAC3HDAC4
SCHEMBL17484017 0.80 HDAC6 (0.49) HDAC1HDAC2MAOAKDM1AHDAC3
SCHEMBL19682890 0.80 HDAC1 (0.57) HDAC1HDAC2MAOAKDM1AHDAC3
SCHEMBL17483919 0.79 HDAC1 (0.49) HDAC1HDAC2MAOAKDM1AHDAC3

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-2016018795-A1 HISTONE DEACETYLASE INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2016-02-04 — — WO disclosed
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