SCHEMBL8809705

SCHEMBL8809705

O=C1NC(=O)C(=Cc2cn(Cc3cc(F)cc(F)c3)c3ccccc23)S1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.82
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT5 Q9NXA8 1/20 0.49
IGF1R P08069 1/20 0.48
CNR2 P34972 1/20 0.47
MAPT P10636 1/20 0.47
TTR P02766 1/20 0.46
AKR1B1 P15121 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
SCHEMBL8809702 1.00 PARP1 (0.82) PARP1SMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL8690727 0.92 PARP1 (0.79) PARP1SMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL8812784 0.92 PARP1 (0.79) PARP1SMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL8809710 0.90 PARP1 (1.00) PARP1SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL8688039 0.90 PARP1 (1.00) PARP1SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL1248861 0.88 PARP1 (0.83) PARP1SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL12891974 0.88 PARP1 (0.83) PARP1SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL1248859 0.88 PARP1 (0.83) PARP1SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL8810231 0.88 PARP1 (0.79) PARP1SMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL8810227 0.88 PARP1 (0.79) PARP1SMN1; SMN2ALDH1A1LMNATDP1

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