SCHEMBL12933710

SCHEMBL12933710

CC(C)(C)CNc1nccc(CO)n1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 17/20 0.50
HRH3 Q9Y5N1 15/20 0.50
NUDT1 P36639 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CHRNA7 P36544 1/20 0.41

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
SCHEMBL14029983 0.77 HRH4 (0.54) HRH4HRH3NUDT1CHRNA7
SCHEMBL1787663 0.77 HDAC1 (0.40) HDAC1HDAC8HDAC6
SCHEMBL16844971 0.76 HRH4 (0.52) HRH4HRH3NUDT1CHRNA7
SCHEMBL9169741 0.76 HRH4 (0.52) HRH4HRH3NUDT1CHRNA7
SCHEMBL16815659 0.74 MKNK1 (0.48) HDAC1HDAC8HDAC6
SCHEMBL14561014 0.74 RAB9A (0.48) HRH4HRH3
SCHEMBL14004971 0.73 HRH4 (0.50) HRH4HRH3NUDT1CHRNA7
SCHEMBL16815597 0.73 HDAC1 (0.53) HDAC1HDAC8HDAC6
SCHEMBL12932877 0.73 HRH4 (0.50) HRH4HRH3NUDT1
SCHEMBL23554880 0.73 KDM4E (0.50) NUDT1HDAC1HDAC8HDAC6

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
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed