SCHEMBL8294743

SCHEMBL8294743

C=C(NCCCCCCNC(=O)CS)c1ccc(N(C)C)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 17/20 0.76
▸ HDAC6 Q9UBN7 16/20 0.76
▸ HDAC10 Q969S8 15/20 0.76
▸ HDAC8 Q9BY41 15/20 0.76
▸ HDAC2 Q92769 13/20 0.76
▸ HDAC11 Q96DB2 12/20 0.62
▸ HDAC3 O15379 12/20 0.62
▸ HDAC4 P56524 11/20 0.62
▸ HDAC7 Q8WUI4 11/20 0.62
▸ HDAC9 Q9UKV0 11/20 0.62
▸ HDAC5 Q9UQL6 11/20 0.62
▸ LTA4H P09960 1/20 0.52
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NAMPT P43490 1/20 0.44

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
SCHEMBL1366970 0.86 HDAC1 (1.00) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL1004150 0.86 HDAC1 (1.00) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL8294740 0.86 HDAC1 (0.56) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL1366844 0.85 HDAC1 (1.00) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL13786320 0.83 HDAC6 (0.76) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL1365794 0.82 HDAC1 (1.00) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL8293929 0.81 HDAC6 (0.60) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL1364734 0.77 HDAC1 (0.71) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL12727089 0.73 HDAC1 (0.77) HDAC1HDAC6HDAC10HDAC8HDAC2
SCHEMBL26220123 0.71 HDAC1 (0.48) HDAC1HDAC6HDAC10HDAC8HDAC2

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-2005007091-A2 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2005-01-27 — — WO disclosed
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