SCHEMBL8686377

SCHEMBL8686377

O=C1NC(=Cc2cn(CCc3ccccc3)c3ccccc23)C(=O)S1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.50
SIRT1 Q96EB6 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
MAPK14 Q16539 1/20 0.46
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
POLB P06746 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HSP90AA1 P07900 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL8685538 0.88 PARP1 (0.63) PARP1SIRT1SIRT5KMT2AMEN1
SCHEMBL8685618 0.87 PARP1 (0.42) PARP1SIRT1SIRT5MAPK14KMT2A
SCHEMBL8686376 0.86 PARP1 (0.67) PARP1SIRT1SIRT5MAPK14KMT2A
SCHEMBL8686373 0.86 PARP1 (0.67) PARP1SIRT1SIRT5MAPK14KMT2A
SCHEMBL8686391 0.82 KMT2A (0.51) PARP1KMT2AMEN1POLBLMNA
SCHEMBL8809303 0.81 PARP1 (0.48) PARP1KMT2AMEN1POLBHTT
SCHEMBL8812780 0.81 PARP1 (0.62) PARP1SIRT1SIRT5KMT2AMEN1
SCHEMBL8812628 0.81 PARP1 (0.41) PARP1HPGD
SCHEMBL8809718 0.80 PARP1 (0.77) PARP1SIRT1SIRT5KMT2AMEN1
SCHEMBL8809776 0.80 PARP1 (0.64) PARP1SIRT1SIRT5KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 US disclosed
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed