SCHEMBL13985016

SCHEMBL13985016

COc1cccn2c(-c3csc(Nc4ccc(C(=O)NO)cc4)n3)c(C)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.52
HPGDS O60760 1/20 0.52
MAPT P10636 9/20 0.52
GAA P10253 8/20 0.52
ALDH1A1 P00352 7/20 0.52
KMT2A Q03164 4/20 0.52
HTT P42858 4/20 0.52
MEN1 O00255 3/20 0.52
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CSNK2A1 P68400 2/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PIM1 P11309 1/20 0.51
RPS6KB1 P23443 1/20 0.51
CDK2 P24941 1/20 0.51
FLT4 P35916 1/20 0.51
FLT3 P36888 1/20 0.51
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51

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
SCHEMBL12790215 0.94 HPGDS (0.51) HPGDSMAPTGAAALDH1A1KMT2A
SCHEMBL12790199 0.88 MAPT (0.49) HDAC6HPGDSMAPTGAAALDH1A1
SCHEMBL699276 0.83 CAMK2D (0.50) HDAC6CDK2MAPK8
SCHEMBL3688533 0.82 CSNK2A1 (0.76) HDAC6MAPTGAAALDH1A1KMT2A
SCHEMBL12790443 0.81 PRKD3 (0.52) HDAC6MAPTGAAALDH1A1KMT2A
SCHEMBL12790174 0.80 PRKD3 (0.52) HDAC6MAPTGAAALDH1A1KMT2A
SCHEMBL3689066 0.80 HDAC6 (0.54) HDAC6MAPTGAAALDH1A1KMT2A
SCHEMBL1684736 0.79 MAPT (0.68) MAPTGAAALDH1A1KMT2AHTT
SCHEMBL12791070 0.79 MAPT (0.49) MAPTGAAALDH1A1KMT2AHTT
SCHEMBL12790205 0.79 PRKD3 (0.50) HDAC6MAPTGAAALDH1A1KMT2A

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-2009002534-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2008-12-31 WO disclosed