SCHEMBL27715212

SCHEMBL27715212

CCC(=O)CCCCCC(CNCc1cnc2ccccc2c1)NC(=O)Cc1ccsc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.38
HDAC3 O15379 16/20 0.37
HDAC2 Q92769 13/20 0.36
HDAC8 Q9BY41 13/20 0.36
HDAC6 Q9UBN7 13/20 0.36
HDAC4 P56524 10/20 0.36
HDAC7 Q8WUI4 10/20 0.36
HDAC10 Q969S8 10/20 0.36
HDAC11 Q96DB2 10/20 0.36
HDAC9 Q9UKV0 10/20 0.36
HDAC5 Q9UQL6 10/20 0.36
KCNH2 Q12809 5/20 0.36
CYP2C9 P11712 1/20 0.35

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
SCHEMBL27715233 0.90 HDAC1 (0.44) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL5117982 0.86 HDAC1 (0.42) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL28315016 0.85 HDAC1 (0.42) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL27695446 0.85 HDAC1 (0.43) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL27695257 0.84 HDAC1 (0.40) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL28316199 0.84 HDAC1 (0.40) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL27695314 0.82 HDAC1 (0.41) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL27715211 0.82 HDAC1 (0.39) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL27715161 0.78 HDAC3 (0.43) HDAC1HDAC3HDAC2HDAC8CYP2C9
SCHEMBL15477812 0.76 HDAC1 (0.50) HDAC1HDAC3HDAC2HDAC8HDAC6

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
CN-101107220-A Amide derivatives as inhibitors of histone deacetylase ANGELETTI P INST RICHERCHE BIO (IT) 2008-01-16 CN disclosed