SCHEMBL7462900

SCHEMBL7462900

COc1ccc(F)c(CN2C(=O)CSC2=O)c1-c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
PIM1 P11309 1/20 0.37
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
PAX8 Q06710 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
RXRA P19793 3/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90B1 P14625 1/20 0.33
TRAP1 Q12931 1/20 0.33
RXRB P28702 1/20 0.32

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
SCHEMBL7465028 0.84 GSK3A (0.38) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7462758 0.83 PIM1 (0.42) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7462919 0.83 PIM1 (0.41) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL5490078 0.80 PIM1 (0.39) PIM1GSK3AGSK3BALDH1A1POLB
SCHEMBL7468575 0.79 KMT2A (0.46) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL5486165 0.78 GSK3A (0.36) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL5487597 0.77 GSK3A (0.36) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7459946 0.77 PIM1 (0.41) KMT2AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL5488628 0.77 GSK3A (0.39) KMT2APIM1GSK3AGSK3BALDH1A1
SCHEMBL5492206 0.76 GSK3A (0.39) KMT2AGSK3AGSK3BALDH1A1SMN1; SMN2

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