SCHEMBL19980882

SCHEMBL19980882

C=C(C)Nc1cc(N(CCCC(=C)C(=C)C)CCCC(=C)C(=C)C)ccc1N

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.32
HDAC2 Q92769 2/20 0.32
NCOR1 O75376 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC1 Q13547 2/20 0.32
S100B P04271 1/20 0.31

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
SCHEMBL22212937 0.85 KDM4E (0.36) HDAC3HDAC2HDAC1S100B
SCHEMBL24405403 0.79 S100B (0.51) HDAC1S100B
SCHEMBL19980947 0.76 ALDH1A1 (0.44)
SCHEMBL24405348 0.72 S100B (0.38) HDAC1S100B
SCHEMBL8379952 0.72 HDAC1 (0.47) HDAC3HDAC2HDAC1
SCHEMBL15244180 0.70 HDAC1 (0.45) HDAC3HDAC2HDAC1
SCHEMBL19980976 0.69 HDAC1 (0.41) HDAC3HDAC2HDAC1
SCHEMBL8943196 0.69 HDAC1 (0.49) HDAC3HDAC2NCOR1HDAC8HDAC1
SCHEMBL22476593 0.68 HDAC1 (0.40) HDAC3HDAC2NCOR1HDAC8HDAC1
SCHEMBL24006345 0.68 HDAC1 (0.45) HDAC3HDAC2NCOR1HDAC8HDAC1

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-2601268-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed