SCHEMBL8809304

SCHEMBL8809304

N#Cc1cccc(Cn2ccc3c(CC4NC(=O)SC4=O)cccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
PIK3R1 P27986 3/20 0.36
PIK3CA P42336 3/20 0.36
CHRM3 P20309 1/20 0.36
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
APP P05067 1/20 0.34
HTR6 P50406 1/20 0.34
ADORA2A P29274 2/20 0.34
ROCK2 O75116 1/20 0.34
DRD4 P21917 1/20 0.33
ADRA1D P25100 1/20 0.33
FEN1 P39748 1/20 0.33
MPO P05164 2/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL8810209 0.90 CYP19A1 (0.40) CYP19A1APP
SCHEMBL8809489 0.89 ALDH1A1 (0.41) L3MBTL1PIK3R1PIK3CACHRM3CYP19A1
SCHEMBL8685833 0.86 HTR6 (0.43) CYP19A1APPHTR6MPO
SCHEMBL8810664 0.85 MPO (0.46) CYP19A1HTR6MPO
SCHEMBL8811872 0.85 SLC2A1 (0.41) CYP11B1CYP11B2HTR6
SCHEMBL8809719 0.83 SLC2A1 (0.43) L3MBTL1PIK3R1PIK3CAROCK2MPO
SCHEMBL8809597 0.83 PARP1 (0.47) CHRM3
SCHEMBL8812025 0.82 F10 (0.40) MPO
SCHEMBL8810937 0.82 TNF (0.40) HTR6MPO
SCHEMBL8809453 0.82 MPO (0.38) CYP19A1HTR6MPOBRD4

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