SCHEMBL8808577

SCHEMBL8808577

N#Cc1ccc(Cn2cc(C=C3NC(=O)SC3=O)c3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPM1 P06748 1/20 0.67
PARP1 P09874 9/20 0.58
CNR2 P34972 1/20 0.57
POLB P06746 2/20 0.52
SIRT1 Q96EB6 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
HTT P42858 4/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 2/20 0.47
NR4A1 P22736 1/20 0.46
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP19A1 P11511 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SNCA P37840 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
SCHEMBL8811262 0.89 PARP1 (0.58) NPM1PARP1CNR2POLBSIRT1
SCHEMBL8685538 0.88 PARP1 (0.63) NPM1PARP1CNR2POLBSIRT1
SCHEMBL8808565 0.88 PARP1 (0.76) NPM1PARP1CNR2POLBSIRT1
SCHEMBL8685201 0.88 PARP1 (0.76) NPM1PARP1CNR2POLBSIRT1
SCHEMBL8812780 0.87 PARP1 (0.62) NPM1PARP1CNR2POLBSIRT1
SCHEMBL8810595 0.87 NPM1 (0.50) NPM1PARP1CNR2POLBHTT
SCHEMBL8809718 0.86 PARP1 (0.77) NPM1PARP1CNR2SIRT1SIRT5
SCHEMBL8810780 0.84 PARP1 (0.66) NPM1PARP1CNR2POLBSIRT1
SCHEMBL3140242 0.83 NPM1 (0.82) NPM1PARP1CNR2POLBSIRT1
SCHEMBL3140251 0.83 NPM1 (0.82) NPM1PARP1CNR2POLBSIRT1

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
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed