SCHEMBL8686373

SCHEMBL8686373

O=C1NC(=O)/C(=C/c2cn(CCc3ccccc3)c3ccccc23)S1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.67
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HTT P42858 3/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 3/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TTR P02766 2/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT5 Q9NXA8 1/20 0.49
KDM4E B2RXH2 1/20 0.49
BLM P54132 1/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49

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
SCHEMBL8686376 1.00 PARP1 (0.67) PARP1MEN1KMT2AHTTALDH1A1
SCHEMBL1248861 0.88 PARP1 (0.83) PARP1MEN1KMT2AHTTALDH1A1
SCHEMBL12891974 0.88 PARP1 (0.83) PARP1MEN1KMT2AHTTALDH1A1
SCHEMBL1248859 0.88 PARP1 (0.83) PARP1MEN1KMT2AHTTALDH1A1
SCHEMBL8685615 0.87 PARP1 (0.56) PARP1MEN1KMT2AHTTALDH1A1
SCHEMBL8685612 0.87 PARP1 (0.56) PARP1MEN1KMT2AHTTALDH1A1
SCHEMBL8686377 0.86 PARP1 (0.50) PARP1MEN1KMT2AHTTALDH1A1
SCHEMBL12892101 0.85 PARP1 (0.62) PARP1MEN1KMT2AHTTALDH1A1
SCHEMBL1250177 0.85 PARP1 (0.62) PARP1MEN1KMT2AHTTALDH1A1
SCHEMBL1250179 0.85 PARP1 (0.62) PARP1MEN1KMT2AHTTALDH1A1

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