SCHEMBL8685305

SCHEMBL8685305

CC(c1ccccc1)n1cc(/C=C2/SC(=O)NC2=O)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.60
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TTR P02766 2/20 0.49
AKR1B1 P15121 1/20 0.49
PIM1 P11309 2/20 0.47
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
LMNA P02545 1/20 0.45
GSK3B P49841 1/20 0.45
NAT1 P18440 1/20 0.45
IGF1R P08069 1/20 0.45

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
SCHEMBL8810704 1.00 PARP1 (0.60) PARP1MEN1KMT2AMAPTALDH1A1
SCHEMBL8810616 0.90 PARP1 (0.58) PARP1MEN1KMT2AMAPTALDH1A1
SCHEMBL8810612 0.90 PARP1 (0.58) PARP1MEN1KMT2AMAPTALDH1A1
SCHEMBL8811252 0.87 TTR (0.53) PARP1MEN1KMT2ATTRAKR1B1
SCHEMBL8690488 0.87 TTR (0.53) PARP1MEN1KMT2ATTRAKR1B1
SCHEMBL8810709 0.86 MEN1 (0.52) PARP1MEN1KMT2AMAPTALDH1A1
SCHEMBL1250153 0.79 MEN1 (0.77) PARP1MEN1KMT2AMAPTALDH1A1
SCHEMBL1250156 0.79 MEN1 (0.77) PARP1MEN1KMT2AMAPTALDH1A1
SCHEMBL12891816 0.79 MEN1 (0.77) PARP1MEN1KMT2AMAPTALDH1A1
SCHEMBL8685347 0.77 TTR (0.55) PARP1MEN1KMT2AALDH1A1HTT

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