SCHEMBL27798451

SCHEMBL27798451

CCCCCCNc1ccc(C(C(=O)NO)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.55
HDAC3 O15379 4/20 0.55
HDAC6 Q9UBN7 4/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
NAAA Q02083 2/20 0.52
PLK1 P53350 2/20 0.46
MMP1 P03956 2/20 0.46
MMP3 P08254 2/20 0.46
EPHX1 P07099 4/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 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
SCHEMBL20490279 0.95 HDAC4 (0.58) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL27798435 0.89 HDAC8 (0.51) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL20490192 0.83 HDAC3 (0.54) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL20490369 0.83 HDAC8 (0.54) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL20490177 0.81 HDAC1 (0.58) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL2848220 0.81 HDAC4 (0.58) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL11478601 0.80 NAAA (0.52) NAAAPLK1EPHX1HTTALDH1A1
SCHEMBL2847649 0.80 HDAC4 (0.57) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL20490174 0.80 HDAC4 (0.57) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL20490321 0.80 HDAC4 (0.57) HDAC8HDAC3HDAC6HDAC1HDAC2

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
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN disclosed