SCHEMBL8685487

SCHEMBL8685487

COc1ccccc1Cn1ccc2c(/C=C3\SC(=O)NC3=O)cccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.56
GSK3A P49840 1/20 0.53
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
TTR P02766 3/20 0.48
AKR1B1 P15121 1/20 0.48
PIM1 P11309 1/20 0.48
PIM3 Q86V86 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
IGF1R P08069 2/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
BLM P54132 1/20 0.46
PLA2G1B P04054 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
NAT1 P18440 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL8687046 1.00 PARP1 (0.56) PARP1GSK3AKMT2AMEN1TTR
SCHEMBL8814226 0.89 GSK3B (0.51) PARP1GSK3AAKR1B1PIM1PIM3
SCHEMBL8813162 0.89 GSK3B (0.51) PARP1GSK3AAKR1B1PIM1PIM2
SCHEMBL8814220 0.89 GSK3B (0.51) PARP1GSK3AAKR1B1PIM1PIM3
SCHEMBL8813157 0.89 GSK3B (0.51) PARP1GSK3AAKR1B1PIM1PIM2
SCHEMBL8811879 0.88 PARP1 (0.43) PARP1GSK3AKMT2AMEN1PIM1
SCHEMBL8812058 0.88 PARP1 (0.73) PARP1GSK3AKMT2AMEN1TTR
SCHEMBL8812054 0.88 PARP1 (0.73) PARP1GSK3AKMT2AMEN1TTR
SCHEMBL8690423 0.85 PARP1 (0.59) PARP1KMT2AMEN1TTRAKR1B1
SCHEMBL8690901 0.85 PARP1 (0.59) PARP1KMT2AMEN1TTRAKR1B1

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