SCHEMBL8810237

SCHEMBL8810237

O=C1NC(=Cc2cn(Cc3ccc(F)c(F)c3)c3ccccc23)C(=O)S1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.61
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
NR4A1 P22736 1/20 0.46
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 3/20 0.46
SIRT1 Q96EB6 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
NPM1 P06748 1/20 0.44
CNR2 P34972 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
HSP90AA1 P07900 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL8809718 0.89 PARP1 (0.77) PARP1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8810231 0.88 PARP1 (0.79) PARP1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8810227 0.88 PARP1 (0.79) PARP1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8812789 0.88 SMN1; SMN2 (0.62) PARP1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8809713 0.88 PARP1 (0.63) PARP1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8812780 0.87 PARP1 (0.62) PARP1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8811994 0.87 PARP1 (0.46) PARP1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8685538 0.86 PARP1 (0.63) PARP1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8812826 0.85 PARP1 (0.57) PARP1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8814205 0.84 MAPT (0.70) PARP1SMN1; SMN2ALDH1A1MEN1KMT2A

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