SCHEMBL8812653

SCHEMBL8812653

Cc1cccc(Cn2cc(CC3SC(=O)NC3=O)c3ccccc32)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 4/20 0.50
NPSR1 Q6W5P4 4/20 0.50
MAPT P10636 2/20 0.50
MAOA P21397 2/20 0.47
CISD1 Q9NZ45 2/20 0.47
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
POLB P06746 1/20 0.43
PARP1 P09874 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ICMT O60725 1/20 0.42
MAOB P27338 1/20 0.40
FFAR1 O14842 2/20 0.39
PPARG P37231 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL8685509 0.88 POLB (0.50) ALDH1A1LMNANPSR1CHRNB2CHRNA7
SCHEMBL8811861 0.88 MAOA (0.47) ALDH1A1LMNANPSR1MAPTMAOA
SCHEMBL8811116 0.88 ALDH1A1 (0.51) ALDH1A1LMNANPSR1CHRNB2CHRNA7
SCHEMBL8811288 0.87 CA2 (0.51) MAPTCHRNB2CHRNA7CHRNA4POLB
SCHEMBL8810885 0.85 PARP1 (0.55) ALDH1A1LMNAMAPTCHRNB2CHRNA7
SCHEMBL8809479 0.85 ALDH1A1 (0.41) ALDH1A1LMNANPSR1MAPTCHRNB2
SCHEMBL8814248 0.84 ALDH1A1 (0.42) ALDH1A1LMNANPSR1MAPTPARP1
SCHEMBL8810060 0.83 MGAM (0.41) ALDH1A1LMNANPSR1MAPTMAOA
SCHEMBL8810491 0.83 PPARG (0.51) ALDH1A1LMNANPSR1MAPTFFAR1
SCHEMBL8811662 0.83 CHRNB2 (0.52) ALDH1A1NPSR1MAPTCHRNB2CHRNA7

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
CN-1167111-A Thiazolidinedione derivatives, method for preparing derivatives and pharmaceutical compositions containing same SENGA PHARMACEUTICAL LAB INC (JP) 1997-12-10 CN 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