SCHEMBL8686383

SCHEMBL8686383

O=C1NC(=O)/C(=C/c2cn(CC(=O)c3ccccc3)c3ccccc23)S1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.61
KMT2A Q03164 6/20 0.54
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 4/20 0.50
HTT P42858 1/20 0.48
KPNA2 P52292 1/20 0.48
TTR P02766 1/20 0.47
AKR1B1 P15121 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
SCHEMBL8686384 1.00 PARP1 (0.61) PARP1KMT2AALDH1A1MAPTLMNA
SCHEMBL1249238 0.90 KMT2A (0.66) PARP1KMT2AALDH1A1MAPTLMNA
SCHEMBL1249239 0.90 KMT2A (0.66) PARP1KMT2AALDH1A1MAPTLMNA
SCHEMBL12892091 0.90 KMT2A (0.66) PARP1KMT2AALDH1A1MAPTLMNA
SCHEMBL8685879 0.87 TTR (0.51) PARP1KMT2AALDH1A1MEN1TTR
SCHEMBL8685882 0.87 TTR (0.51) PARP1KMT2AALDH1A1MEN1TTR
SCHEMBL8686391 0.87 KMT2A (0.51) PARP1KMT2AALDH1A1MAPTLMNA
SCHEMBL12892101 0.83 PARP1 (0.62) PARP1KMT2AALDH1A1MAPTLMNA
SCHEMBL1250177 0.83 PARP1 (0.62) PARP1KMT2AALDH1A1MAPTLMNA
SCHEMBL1250179 0.83 PARP1 (0.62) PARP1KMT2AALDH1A1MAPTLMNA

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