SCHEMBL8809776

SCHEMBL8809776

Cc1cccc(Cn2cc(C=C3NC(=O)SC3=O)c3ccccc32)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.64
LMNA P02545 4/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPT P10636 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
SIRT1 Q96EB6 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47

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
SCHEMBL8809769 0.89 PARP1 (0.81) PARP1LMNAALDH1A1MAPTNPSR1
SCHEMBL8685984 0.89 PARP1 (0.81) PARP1LMNAALDH1A1MAPTNPSR1
SCHEMBL8685538 0.88 PARP1 (0.63) PARP1LMNAALDH1A1MAPTNPSR1
SCHEMBL8812789 0.88 SMN1; SMN2 (0.62) PARP1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL8809171 0.88 PARP1 (0.48) PARP1LMNAALDH1A1MAPTNPSR1
SCHEMBL8810641 0.87 PARP1 (0.58) PARP1LMNAALDH1A1MAPTNPSR1
SCHEMBL8809356 0.85 PARP1 (0.79) PARP1LMNAALDH1A1MAPTNPSR1
SCHEMBL8811262 0.85 PARP1 (0.58) PARP1LMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL8810237 0.84 PARP1 (0.61) PARP1LMNAALDH1A1MAPTNPSR1
SCHEMBL8809713 0.83 PARP1 (0.63) PARP1LMNAALDH1A1MAPTNPSR1

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