SCHEMBL8812784

SCHEMBL8812784

O=C1NC(=O)C(=Cc2cn(Cc3cccc(F)c3)c3ccccc23)S1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.79
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
ALDH1A1 P00352 1/20 0.62
MGAM O43451 1/20 0.51
GAA P10253 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
POLB P06746 2/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
PIM1 P11309 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
ALPG P10696 1/20 0.48
DNMT1 P26358 1/20 0.48

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
SCHEMBL8690727 1.00 PARP1 (0.79) PARP1LMNASMN1; SMN2TDP1ALDH1A1
SCHEMBL8809705 0.92 PARP1 (0.82) PARP1LMNASMN1; SMN2TDP1ALDH1A1
SCHEMBL8809702 0.92 PARP1 (0.82) PARP1LMNASMN1; SMN2TDP1ALDH1A1
SCHEMBL8685984 0.89 PARP1 (0.81) PARP1LMNASMN1; SMN2TDP1ALDH1A1
SCHEMBL8809769 0.89 PARP1 (0.81) PARP1LMNASMN1; SMN2TDP1ALDH1A1
SCHEMBL8809710 0.89 PARP1 (1.00) PARP1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL8688039 0.89 PARP1 (1.00) PARP1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL1248859 0.88 PARP1 (0.83) PARP1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL12891974 0.88 PARP1 (0.83) PARP1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL1248861 0.88 PARP1 (0.83) PARP1LMNASMN1; SMN2ALDH1A1MEN1

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