SCHEMBL14902879

SCHEMBL14902879

CC(=O)c1cc2c(ccc3sccc32)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.47
DYRK1A Q13627 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
GPR35 Q9HC97 1/20 0.43
GAA P10253 5/20 0.43
POLB P06746 1/20 0.43
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
ALDH1A1 P00352 3/20 0.39
ICAM1 P05362 1/20 0.39
SELE P16581 1/20 0.39

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
SCHEMBL14902938 0.86 GPR35 (0.46) CLK1DYRK1ADYRK1BGPR35GAA
SCHEMBL14902906 0.84 GPR35 (0.62) DYRK1AGPR35GAAPOLBHDAC3
SCHEMBL14896295 0.83 GPR35 (0.43) GPR35GAAPOLBHDAC3HDAC4
SCHEMBL8346793 0.78 GPR35 (0.69) CLK1DYRK1ADYRK1BGPR35GAA
SCHEMBL14902943 0.78 ALDH1A1 (0.45) GPR35GAAPOLBHDAC3HDAC4
SCHEMBL14902903 0.74 GAA (0.34) GPR35GAAPOLBHDAC3HDAC4
SCHEMBL31081029 0.74 MAPT (0.43) CLK1DYRK1ADYRK1BGPR35GAA
SCHEMBL14902895 0.73 GAA (0.38) GPR35GAAPOLBHDAC3HDAC4
SCHEMBL21414005 0.72 LMNA (0.37) CLK1DYRK1ADYRK1BGPR35GAA
SCHEMBL14902878 0.72 CLK1 (0.56) CLK1DYRK1ADYRK1BGPR35GAA

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-2013060702-A1 PHOTOLUMINESCENT COMPOUND OR MIXTURE OF PHOTOLUMINESCENT COMPOUNDS ENI S.P.A. (IT) 2013-05-02 WO disclosed