SCHEMBL8813331

SCHEMBL8813331

O=C1NC(=Cc2cccc3c2ccn3Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C(=O)S1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.47
PIM1 P11309 4/20 0.36
PIM2 Q9P1W9 4/20 0.36
TTR P02766 1/20 0.36
CISD1 Q9NZ45 1/20 0.36
GCGR P47871 2/20 0.36
ADCYAP1R1 P41586 1/20 0.35
ESRRA P11474 3/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8813321 0.89 PARP1 (0.60) PARP1PIM1PIM2TTRCISD1
SCHEMBL8810478 0.89 PARP1 (0.60) PARP1PIM1PIM2TTRCISD1
SCHEMBL8810454 0.89 PARP1 (0.43) PARP1PIM1PIM2TTRMEN1
SCHEMBL8811136 0.88 PARP1 (0.58) PARP1MEN1ALDH1A1MAPTKMT2A
SCHEMBL8811389 0.86 PARP1 (0.62) PARP1PIM1PIM2TTRCISD1
SCHEMBL8810203 0.86 PARP1 (0.50) PARP1PIM1PIM2GCGRADCYAP1R1
SCHEMBL8812036 0.85 PARP1 (0.54) PARP1PIM1PIM2TTRCISD1
SCHEMBL8812716 0.81 PARP1 (0.43) PARP1PIM1PIM2MEN1ALDH1A1
SCHEMBL8685272 0.80 GCGR (0.42) PARP1GCGRADCYAP1R1MEN1ALDH1A1
SCHEMBL8813512 0.80 ALDH1A1 (0.53) PARP1MEN1ALDH1A1MAPTKMT2A

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