SCHEMBL17676755

SCHEMBL17676755

CCCN(CCI)Cc1cccc(OCCn2ccc3ccc(C(=O)NO)cc32)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
MEP1B Q16820 1/20 0.43
SMPD1 P17405 3/20 0.41
BCHE P06276 1/20 0.38
MCL1 Q07820 4/20 0.38
BCL2 P10415 1/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL1608620 0.85 HDAC6 (0.52) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL30696707 0.81 HDAC8 (0.53) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL30696587 0.79 HDAC6 (0.46) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL1608589 0.77 HDAC6 (0.56) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL1607765 0.77 HDAC1 (0.51) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL1608423 0.77 HDAC8 (0.53) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL27339579 0.76 ACHE (0.43) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL1607594 0.75 HDAC6 (0.50) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL1608757 0.75 KDM4E (0.49) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL1608311 0.75 HDAC6 (0.60) HDAC6HDAC8HDAC3HDAC1HDAC2

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-2265590-B1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC (US) 2016-04-13 EP disclosed