SCHEMBL8690307

SCHEMBL8690307

COc1cccc(Cn2cc(/C=C3\SC(=O)NC3=O)c3ccccc32)c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.74
GSK3B P49841 2/20 0.56
ABCC2 Q92887 1/20 0.54
PIM1 P11309 1/20 0.53
AKR1B1 P15121 1/20 0.53
PIM2 Q9P1W9 1/20 0.53
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48

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
SCHEMBL8810629 1.00 PARP1 (0.74) PARP1GSK3BABCC2PIM1AKR1B1
SCHEMBL8810641 0.89 PARP1 (0.58) PARP1ABCC2POLBMAPTMEN1
SCHEMBL8685971 0.89 PARP1 (0.58) PARP1GSK3BPIM1AKR1B1PIM2
SCHEMBL8809361 0.89 PARP1 (0.58) PARP1GSK3BPIM1AKR1B1PIM2
SCHEMBL8809769 0.88 PARP1 (0.81) PARP1PIM1AKR1B1PIM2POLB
SCHEMBL8685984 0.88 PARP1 (0.81) PARP1PIM1AKR1B1PIM2POLB
SCHEMBL12891974 0.86 PARP1 (0.83) PARP1AKR1B1POLBMAPTMEN1
SCHEMBL1248859 0.86 PARP1 (0.83) PARP1AKR1B1POLBMAPTMEN1
SCHEMBL1248861 0.86 PARP1 (0.83) PARP1AKR1B1POLBMAPTMEN1
SCHEMBL8690727 0.85 PARP1 (0.79) PARP1PIM1AKR1B1PIM2POLB

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