SCHEMBL8808787

SCHEMBL8808787

O=C1NC(=O)C(=Cc2cn(Cc3ccccn3)c3ccccc23)S1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.66
HPGD P15428 6/20 0.53
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MTOR P42345 1/20 0.47
TTR P02766 1/20 0.46
AKR1B1 P15121 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL8690456 1.00 PARP1 (0.66) PARP1HPGDMEN1KMT2AHTT
SCHEMBL31005261 0.88 PARP1 (0.52) PARP1HPGDMTOR
SCHEMBL31005256 0.88 PARP1 (0.62) PARP1HPGDMTOR
SCHEMBL31005240 0.88 PARP1 (0.64) PARP1HPGD
SCHEMBL31005223 0.88 PARP1 (0.52) PARP1HPGDMTOR
SCHEMBL31005255 0.88 PARP1 (0.64) PARP1HPGD
SCHEMBL8809703 0.88 HPGD (0.53) PARP1HPGDMEN1KMT2AMTOR
SCHEMBL8809700 0.88 HPGD (0.53) PARP1HPGDMEN1KMT2AMTOR
SCHEMBL31005242 0.86 PARP1 (0.50) PARP1HPGD
SCHEMBL31005252 0.86 GSK3B (0.55) PARP1HPGDALDH1A1

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