SCHEMBL7860730

SCHEMBL7860730

O=C1CSC(=O)N1Cc1ccc2cc(OCc3ccccc3F)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.59
PTPN1 P18031 8/20 0.50
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
PTPN2 P17706 6/20 0.46
CDC25B P30305 6/20 0.46
ALDH1A1 P00352 2/20 0.44
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
MAOB P27338 5/20 0.43
PTPN6 P29350 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 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
SCHEMBL30475601 1.00 PIM1 (0.59) PIM1PTPN1GSK3AGSK3BPTPN2
SCHEMBL7867091 0.79 PTPN1 (0.50) PTPN1PTPN2CDC25BPARP15PARP10
SCHEMBL29702290 0.79 GSK3A (0.67) PIM1GSK3AGSK3BALDH1A1CA9
SCHEMBL8824959 0.76 TDP1 (0.41) PIM1GSK3AGSK3BALDH1A1MAOB
SCHEMBL30990560 0.76 PIM1 (1.00) PIM1GSK3AGSK3BALDH1A1POLB
SCHEMBL26710431 0.75 GSK3A (0.65) PIM1GSK3AGSK3BALDH1A1MAOB
SCHEMBL8825038 0.74 GSK3A (0.41) PIM1GSK3AGSK3BALDH1A1MAOB
SCHEMBL8875541 0.74 GSK3A (0.55) PIM1GSK3AGSK3BALDH1A1CA9
SCHEMBL8877320 0.72 PTPN1 (0.64) PTPN1PTPN2CDC25BPARP15PARP10
SCHEMBL8876594 0.72 PTPN1 (0.60) PTPN1PTPN2CDC25BPARP15PARP10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131310-A1 CHRYSTALS OF 5- 6-(2-FLUOROBENZYL)OXY-2-NAPHTHYL METHYL]-2,4-THIAZOLIDINEDIONE MITSUBISHI CHEMICAL CORPORATION (JP) 2001-09-12 EP claimed
WO-2000031055-A1 CHRYSTALS OF 5-[{6-(2-FLUOROBENZYL)OXY-2-NAPHTHYL}METHYL]-2,4-THIAZOLIDINEDIONE MITSUBISHI CHEMICAL CORPORATION (JP) 2000-06-02 WO claimed
US-5753681-A INSULIN SENSITIZERS SANKYO COMPANY, LIMITED (JP) 1998-05-19 US claimed
EP-1131310-A1 CHRYSTALS OF 5- 6-(2-FLUOROBENZYL)OXY-2-NAPHTHYL METHYL]-2,4-THIAZOLIDINEDIONE MITSUBISHI CHEMICAL CORPORATION (JP) 2001-09-12 EP disclosed
WO-2000031055-A1 CHRYSTALS OF 5-[{6-(2-FLUOROBENZYL)OXY-2-NAPHTHYL}METHYL]-2,4-THIAZOLIDINEDIONE MITSUBISHI CHEMICAL CORPORATION (JP) 2000-06-02 WO disclosed