SCHEMBL8809171

SCHEMBL8809171

Cc1cccc(Cn2ccc3c(C=C4NC(=O)SC4=O)cccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.48
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SLC2A1 P11166 1/20 0.43
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR6 P50406 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
APP P05067 2/20 0.38
SNCA P37840 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL8809167 0.89 PARP1 (0.62) PARP1MAPTALDH1A1LMNANPSR1
SCHEMBL8685371 0.89 PARP1 (0.62) PARP1MAPTALDH1A1LMNANPSR1
SCHEMBL8685967 0.88 PARP1 (0.50) PARP1MAPTALDH1A1LMNANPSR1
SCHEMBL8813674 0.88 TDP1 (0.48) PARP1ALDH1A1LMNASLC2A1MEN1
SCHEMBL8809776 0.88 PARP1 (0.64) PARP1MAPTALDH1A1LMNANPSR1
SCHEMBL8809369 0.87 SLC2A1 (0.46) PARP1MAPTLMNASLC2A1MEN1
SCHEMBL8811097 0.85 PARP1 (0.58) PARP1HTR6APPSNCAPIM1
SCHEMBL8811389 0.85 PARP1 (0.62) PARP1MAPTALDH1A1LMNATP53
SCHEMBL8810613 0.85 PARP1 (0.44) PARP1HTR6APPSNCA
SCHEMBL8810400 0.85 PARP1 (0.46) PARP1MAPTALDH1A1NPSR1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed