SCHEMBL8813431

SCHEMBL8813431

Nc1ccc(Cn2cc(CC3SC(=O)NC3=O)c3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
HTR6 P50406 2/20 0.50
PPARG P37231 4/20 0.43
FFAR1 O14842 3/20 0.43
PPARA Q07869 1/20 0.41
POLB P06746 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
PARP1 P09874 3/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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 0.91 POLB (0.50) HTR6PPARGFFAR1PPARAPOLB
SCHEMBL8810491 0.90 PPARG (0.51) MAPTHTR6PPARGFFAR1ALDH1A1
SCHEMBL8811662 0.90 CHRNB2 (0.52) MAPTPPARGFFAR1PPARAPOLB
SCHEMBL8810577 0.89 PARP1 (0.51) MAPTPOLBPARP1KMT2AALDH1A1
SCHEMBL8812051 0.86 HTT (0.52) MAPTPPARGFFAR1PPARAPOLB
SCHEMBL8811153 0.86 PPARG (0.53) MAPTHTR6PPARGFFAR1PPARA
SCHEMBL8811924 0.86 MAPT (0.55) MAPTHTR6PPARGFFAR1PPARA
SCHEMBL8814248 0.85 ALDH1A1 (0.42) MAPTPPARGFFAR1PPARAPARP1
SCHEMBL8810060 0.84 MGAM (0.41) MAPTPPARGFFAR1POLBPARP1
SCHEMBL8809683 0.84 FFAR1 (0.57) PPARGFFAR1PPARA

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