SCHEMBL17483974

SCHEMBL17483974

Nc1ccc(-c2cccs2)cc1NC(=O)/C=C/c1ccc(CNCC23CC4CC(CC2C4)C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 18/20 0.52
▸ HDAC2 Q92769 9/20 0.47
▸ HDAC3 O15379 5/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.46
▸ RARB P10826 1/20 0.44
▸ HDAC8 Q9BY41 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
SCHEMBL17483990 0.86 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC6RARB
SCHEMBL17483982 0.80 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC6RARB
SCHEMBL4580381 0.79 HDAC1 (0.66) HDAC1HDAC2HDAC3
SCHEMBL4580375 0.79 HDAC1 (0.66) HDAC1HDAC2HDAC3
SCHEMBL2133626 0.78 HDAC1 (0.61) HDAC1HDAC2HDAC3HDAC8
SCHEMBL2133614 0.78 HDAC1 (0.61) HDAC1HDAC2HDAC3HDAC8
SCHEMBL2402836 0.76 HDAC1 (0.77) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL2402840 0.76 HDAC1 (0.77) HDAC1HDAC2HDAC3HDAC6HDAC8
SCHEMBL17483930 0.75 HDAC1 (0.54) HDAC1HDAC2HDAC3
SCHEMBL1067187 0.74 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC6

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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