SCHEMBL3840339

SCHEMBL3840339

COc1ccc(CC2NC(=O)SC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
TLR9 Q9NR96 1/20 0.40
HPGD P15428 1/20 0.40
CMA1 P23946 1/20 0.40
CYP2D6 P10635 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC2A1 P11166 1/20 0.39
DAO P14920 1/20 0.39

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
SCHEMBL9803869 0.80 FFAR1 (0.42) HPGDLMNAMEN1ALDH1A1KMT2A
SCHEMBL9326656 0.80 HRH3 (0.48) GLAHPGDMEN1KMT2A
SCHEMBL5674985 0.80 LOXL2 (0.46) HPGDSMN1; SMN2MAPK1MEN1ALDH1A1
SCHEMBL10467351 0.80 FFAR1 (0.42) HPGDLMNAMEN1ALDH1A1KMT2A
SCHEMBL7898905 0.79 HTR1B (0.42) LMNAALDH1A1KMT2A
SCHEMBL9432799 0.79 POLB (0.49) MMP3MMP9LMNAKMT2A
SCHEMBL1745276 0.79 CAPN1 (0.45) HPGD
SCHEMBL7911563 0.79 HRH3 (0.42) HPGDLMNAMEN1ALDH1A1KMT2A
SCHEMBL4940660 0.78 GAA (0.44) ALDH1A1CYP2C19
SCHEMBL15065439 0.77 ALDH1A1 (0.49) LMNAMAPK1MEN1ALDH1A1KMT2A

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
JP-2009013091-A PRODUCTION METHOD OF PIOGLITAZONE HYDROCHLORIDE TOKUYAMA CORP 2009-01-22 JP disclosed