SCHEMBL8305154

SCHEMBL8305154

O=C(O)/C=C/c1cccc(-c2nc3ccccc3n2Cc2ccc(F)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.71
HDAC8 Q9BY41 14/20 0.71
HDAC6 Q9UBN7 14/20 0.71
MAPT P10636 2/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 3/20 0.55
PDE6D O43924 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ALDH2 P05091 1/20 0.52
ALDH3A1 P30838 1/20 0.52
GRM2 Q14416 1/20 0.48

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
SCHEMBL8305149 0.89 HDAC1 (0.85) HDAC1HDAC8HDAC6MAPTLMNA
SCHEMBL5565831 0.83 HDAC1 (1.00) HDAC1HDAC8HDAC6
SCHEMBL5565827 0.83 HDAC1 (1.00) HDAC1HDAC8HDAC6
SCHEMBL8252807 0.82 HDAC1 (0.83) HDAC1HDAC8HDAC6MAPTTP53
SCHEMBL5565667 0.81 HDAC1 (0.86) HDAC1HDAC8HDAC6
SCHEMBL5565663 0.81 HDAC1 (0.86) HDAC1HDAC8HDAC6
SCHEMBL5559945 0.80 HDAC1 (0.87) HDAC1HDAC8HDAC6
SCHEMBL5559950 0.80 HDAC1 (0.87) HDAC1HDAC8HDAC6
SCHEMBL8242991 0.80 HDAC1 (0.72) HDAC1HDAC8HDAC6
SCHEMBL8249421 0.80 HDAC1 (0.73) HDAC1HDAC8HDAC6MAPTTP53

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-2004082638-A2 HISTONE DEACETYLASE INHIBITORS SYRRX, INC. (US) 2004-09-30 WO disclosed