SCHEMBL7459946

SCHEMBL7459946

COc1c(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)ccc(CN2C(=O)CSC2=O)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
RXRA P19793 7/20 0.35
RXRG P48443 2/20 0.35
RARA P10276 1/20 0.35
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
RXRB P28702 1/20 0.33
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL5490078 0.87 PIM1 (0.39) PIM1GSK3AGSK3BRXRARXRG
SCHEMBL7462758 0.87 PIM1 (0.42) PIM1GSK3AGSK3BRXRARXRG
SCHEMBL5492253 0.85 GAA (0.40) PIM1GSK3AGSK3BRXRARXRG
SCHEMBL5488628 0.83 GSK3A (0.39) PIM1GSK3AGSK3BRXRARXRG
SCHEMBL5486165 0.81 GSK3A (0.36) PIM1GSK3AGSK3BRXRARXRG
SCHEMBL5491235 0.81 GSK3A (0.42) PIM1GSK3AGSK3BRXRARXRG
SCHEMBL5487597 0.81 GSK3A (0.36) PIM1GSK3AGSK3BRXRARXRG
SCHEMBL7468575 0.80 KMT2A (0.46) GSK3AGSK3BRXRARXRGRARB
SCHEMBL5491294 0.80 KCNN4 (0.43) PIM1GSK3AGSK3BRXRARXRG
SCHEMBL5492206 0.80 GSK3A (0.39) GSK3AGSK3BRXRAALDH1A1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214305-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF INFLAMMATION Maxia Pharmaceuticals, Inc. (US) 2002-06-19 EP claimed
WO-2001016123-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF INFLAMMATION MAXIA PHARMACEUTICALS, INC. (US) 2001-03-08 WO claimed
EP-1214305-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF INFLAMMATION Maxia Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
WO-2001016123-A1 BENZYLIDENE-THIAZOLIDINEDIONES AND ANALOGUES AND THEIR USE IN THE TREATMENT OF INFLAMMATION MAXIA PHARMACEUTICALS, INC. (US) 2001-03-08 WO disclosed