SCHEMBL8808586

SCHEMBL8808586

O=C1NC(=O)/C(=C/c2cccc3c2ccn3S(=O)(=O)c2cccc(C(F)(F)F)c2)S1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.54
▸ PIM1 P11309 4/20 0.52
▸ PIM2 Q9P1W9 4/20 0.52
▸ TTR P02766 3/20 0.52
▸ CISD1 Q9NZ45 2/20 0.52
▸ RXRA P19793 1/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ AKR1B1 P15121 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HTR6 P50406 6/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ IGF1R P08069 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
SCHEMBL8808590 1.00 PARP1 (0.54) PARP1PIM1PIM2TTRCISD1
SCHEMBL8808594 0.89 PARP1 (0.42) PARP1PIM1PIM2TTRCISD1
SCHEMBL8809653 0.86 TTR (0.54) PARP1PIM1PIM2TTRMEN1
SCHEMBL8685838 0.86 TTR (0.54) PARP1PIM1PIM2TTRMEN1
SCHEMBL8686827 0.83 PARP1 (0.52) PARP1PIM1PIM2TTRMEN1
SCHEMBL8808598 0.83 PARP1 (0.52) PARP1PIM1PIM2TTRMEN1
SCHEMBL8811258 0.81 MEN1 (0.54) PARP1PIM1PIM2TTRPTPN1
SCHEMBL8685694 0.81 MEN1 (0.54) PARP1PIM1PIM2TTRPTPN1
SCHEMBL3623386 0.79 HTR6 (0.51) HTR6
SCHEMBL3613851 0.78 HTR6 (0.48) HTR6

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
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