SCHEMBL8685201

SCHEMBL8685201

N#Cc1ccc(Cn2cc(/C=C3\SC(=O)NC3=O)c3ccccc32)cc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.76
NPM1 P06748 1/20 0.70
CNR2 P34972 1/20 0.60
POLB P06746 2/20 0.52
HTT P42858 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
NR4A1 P22736 1/20 0.46
CYP19A1 P11511 1/20 0.45
TTR P02766 1/20 0.45
AKR1B1 P15121 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
SCHEMBL8808565 1.00 PARP1 (0.76) PARP1NPM1CNR2POLBHTT
SCHEMBL8685564 0.89 PARP1 (0.74) PARP1NPM1CNR2POLBHTT
SCHEMBL8811256 0.89 PARP1 (0.74) PARP1NPM1CNR2POLBHTT
SCHEMBL12891974 0.88 PARP1 (0.83) PARP1NPM1CNR2POLBHTT
SCHEMBL1248861 0.88 PARP1 (0.83) PARP1NPM1CNR2POLBHTT
SCHEMBL1248859 0.88 PARP1 (0.83) PARP1NPM1CNR2POLBHTT
SCHEMBL8808577 0.88 NPM1 (0.67) PARP1NPM1CNR2POLBHTT
SCHEMBL8812776 0.87 PARP1 (0.82) PARP1NPM1CNR2POLBHTT
SCHEMBL8688578 0.87 PARP1 (0.82) PARP1NPM1CNR2POLBHTT
SCHEMBL8810593 0.87 PARP1 (0.57) PARP1NPM1CNR2KMT2AMEN1

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