SCHEMBL13985019

SCHEMBL13985019

Cc1nc2cc(O)ccn2c1-c1csc(Nc2cccc(C(=O)Nc3cccnc3N)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
KLF5 Q13887 1/20 0.55
GAA P10253 5/20 0.55
MAPT P10636 5/20 0.49
KDM4E B2RXH2 4/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NR2F2 P24468 1/20 0.49
PIM1 P11309 2/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
FLT4 P35916 1/20 0.47
FLT3 P36888 1/20 0.47
MAPK8 P45983 1/20 0.47

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
SCHEMBL13969934 0.91 GAA (0.61) CACNA1BAPBA1KLF5GAAMAPT
SCHEMBL13970014 0.84 GAA (0.51) CACNA1BAPBA1KLF5GAAMAPT
SCHEMBL3675364 0.83 MAPT (0.65) CACNA1BAPBA1KLF5GAAMAPT
SCHEMBL13970135 0.78 PKM (0.59) GAAMAPTNPSR1PKMMEN1
SCHEMBL12847465 0.78 HDAC1 (0.45) CACNA1BAPBA1KLF5GAAMAPT
SCHEMBL12847464 0.77 HDAC1 (0.51) CACNA1BAPBA1KLF5GAAMAPT
SCHEMBL12790208 0.76 MAPT (0.54) CACNA1BAPBA1KLF5GAAMAPT
SCHEMBL252991 0.75 ALDH1A1 (0.66) CACNA1BAPBA1KLF5GAAMAPT
SCHEMBL3644534 0.75 MAPT (0.74) CACNA1BAPBA1KLF5GAAMAPT
SCHEMBL12790419 0.75 CSNK2A1 (0.51) CACNA1BAPBA1KLF5GAAMAPT

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