SCHEMBL8272091

SCHEMBL8272091

C=C(CS)NCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 20/20 0.67
▸ HDAC3 O15379 19/20 0.67
▸ HDAC8 Q9BY41 19/20 0.67
▸ HDAC6 Q9UBN7 19/20 0.67
▸ HDAC2 Q92769 19/20 0.67
▸ HDAC4 P56524 18/20 0.67
▸ HDAC7 Q8WUI4 18/20 0.67
▸ HDAC10 Q969S8 18/20 0.67
▸ HDAC11 Q96DB2 18/20 0.67
▸ HDAC9 Q9UKV0 18/20 0.67
▸ HDAC5 Q9UQL6 18/20 0.67

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
SCHEMBL5998516 0.88 HDAC1 (0.84) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL8272475 0.82 HDAC1 (0.69) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL5998899 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL5999560 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL8587363 0.78 HDAC1 (0.75) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL5240357 0.78 HDAC6 (0.78) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL8226957 0.77 HDAC1 (1.00) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL38652239 0.76 HDAC1 (0.62) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL8294749 0.76 HDAC1 (0.44) HDAC1HDAC3HDAC8HDAC6HDAC2
SCHEMBL8228208 0.76 HDAC1 (0.86) HDAC1HDAC3HDAC8HDAC6HDAC2

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-2006028972-A2 MERCAPTOAMIDES AS HISTONE DEACETYLASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2006-03-16 — — WO disclosed
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