SCHEMBL4034343

SCHEMBL4034343

CC(OC1SC(=O)NC1=O)N(C)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.46
RARG P13631 1/20 0.41
RXRA P19793 1/20 0.41
LIPE Q05469 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 2/20 0.34
HTT P42858 1/20 0.34
CA2 P00918 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
GAA P10253 2/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 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
SCHEMBL5184408 0.75 PPARG (0.69) PPARGRARGRXRA
SCHEMBL6891679 0.75 PPARG (0.64) PPARGRARGRXRAALDH1A1KDM4E
SCHEMBL2085262 0.72 MAPT (0.40) PPARGALDH1A1KDM4EMAPTHTT
SCHEMBL4500673 0.66 CYP2D6 (0.47) LIPEALDH1A1KDM4EHTTCYP2D6
SCHEMBL85721 0.65 CYP2D6 (0.55) LIPEALDH1A1KDM4ECYP2D6CYP2C19
SCHEMBL4953723 0.65 POLB (0.44) PPARGLIPEALDH1A1CYP2D6CYP2C19
SCHEMBL4953717 0.65 POLB (0.44) PPARGLIPEALDH1A1CYP2D6CYP2C19
SCHEMBL8803105 0.64 POLB (0.43) LIPEALDH1A1HTTCYP2D6CYP2C19
Rosiglitazone SCHEMBL7052472 0.63 PPARG (1.00) PPARGRARGRXRAALDH1A1KDM4E
SCHEMBL15348621 0.63 PPARG (0.79) PPARGRARGRXRAMAPT

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-2032569-A1 PROCESS FOR THE SYNTHESIS OF BENZYLIDENE ROSIGLITAZONE BASE Richter Gedeon NYRT (HU) 2009-03-11 EP disclosed
WO-2007148141-A1 PROCESS FOR THE SYNTHESIS OF BENZYLIDENE ROSIGLITAZONE BASE RICHTER GEDEON NYRT. (HU) 2007-12-27 WO disclosed