SCHEMBL7468575

SCHEMBL7468575

COc1cc(CN2C(=O)CSC2=O)ccc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
POLB P06746 2/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PAX8 Q06710 1/20 0.39
RXRA P19793 3/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7457132 0.90 GSK3A (0.41) KMT2AGSK3AGSK3BPOLBALDH1A1
SCHEMBL7460353 0.90 GSK3A (0.48) KMT2AGSK3AGSK3BPOLBALDH1A1
SCHEMBL7463463 0.89 GSK3A (0.40) KMT2AGSK3AGSK3BPOLBALDH1A1
SCHEMBL7459610 0.89 KCNN4 (0.43) GSK3AGSK3BPOLBALDH1A1RXRA
SCHEMBL7459871 0.89 ALDH1A1 (0.43) KMT2AGSK3AGSK3BPOLBALDH1A1
SCHEMBL5492206 0.87 GSK3A (0.39) KMT2AGSK3AGSK3BPOLBALDH1A1
SCHEMBL7463442 0.87 ALDH1A1 (0.46) GSK3AGSK3BPOLBALDH1A1RXRA
SCHEMBL7464315 0.87 GSK3A (0.45) GSK3AGSK3BPOLBALDH1A1RXRA
SCHEMBL7470275 0.87 KMT2A (0.43) KMT2AGSK3AGSK3BPOLBALDH1A1
SCHEMBL7464760 0.86 KCNN4 (0.42) KMT2AGSK3AGSK3BPOLBALDH1A1

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-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