SCHEMBL8809200

SCHEMBL8809200

O=C1NC(Cc2cccc3c2ccn3Cc2ccccc2-c2ccccc2)C(=O)S1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
PDE3B Q13370 2/20 0.33
PDE7A Q13946 2/20 0.33
PDE3A Q14432 2/20 0.33
MCL1 Q07820 1/20 0.33
BAD Q92934 1/20 0.33
PPARG P37231 5/20 0.33
MPO P05164 1/20 0.33
ASH1L Q9NR48 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADAM17 P78536 1/20 0.32
BRD4 O60885 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
DHPS P49366 1/20 0.31

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
SCHEMBL8685833 0.87 HTR6 (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8813825 0.85 CYP19A1 (0.39) MPOKDM4EALDH1A1HTR6
SCHEMBL8809697 0.85 HTR6 (0.42) KDM4EALDH1A1HTR6
Dimethylamine SCHEMBL8812830 0.83 HTR6 (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8811856 0.82 DBH (0.41) KDM4EALDH1A1
SCHEMBL8811090 0.82 KDM1A (0.38) PPARGALDH1A1
SCHEMBL8812495 0.82 TNF (0.39) ALDH1A1HTR6
SCHEMBL8812580 0.81 TNF (0.37) MPOKDM4EHTR6
SCHEMBL8685781 0.81 HTR6 (0.37) PDE4APDE4BPDE4CPDE4DMPO
SCHEMBL8809642 0.81 HTR6 (0.36) KDM4EALDH1A1HTR6

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