SCHEMBL8809356

SCHEMBL8809356

O=C1NC(=Cc2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)C(=O)S1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.79
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
SIRT1 Q96EB6 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
PTGS2 P35354 1/20 0.45
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
MAPK10 P53779 1/20 0.42
PTPN1 P18031 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL8810780 0.89 PARP1 (0.66) PARP1SMN1; SMN2ALDH1A1LMNASIRT1
SCHEMBL8809347 0.89 PARP1 (1.00) PARP1SMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL8809350 0.89 PARP1 (1.00) PARP1SMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL8811389 0.89 PARP1 (0.62) PARP1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL8812789 0.87 SMN1; SMN2 (0.62) PARP1SMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL8685538 0.86 PARP1 (0.63) PARP1SMN1; SMN2ALDH1A1LMNASIRT1
SCHEMBL8809776 0.85 PARP1 (0.64) PARP1SMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL8811136 0.85 PARP1 (0.58) PARP1SMN1; SMN2ALDH1A1LMNASIRT1
SCHEMBL8810237 0.83 PARP1 (0.61) PARP1SMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL8809713 0.83 PARP1 (0.63) PARP1SMN1; SMN2ALDH1A1LMNATDP1

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