SCHEMBL7464760

SCHEMBL7464760

COc1cc2c(cc1-c1ccc(CN3C(=O)CSC3=O)cc1OC(F)(F)F)C(C)(C)CCC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 9/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.40
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
CHRM5 P08912 1/20 0.37
PAX8 Q06710 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
SCHEMBL7459610 0.90 KCNN4 (0.43) KCNN4POLBGSK3AGSK3BALDH1A1
SCHEMBL7459835 0.89 KCNN4 (0.42) KCNN4KMT2APOLBGSK3AGSK3B
SCHEMBL7470275 0.88 KMT2A (0.43) KCNN4KMT2APOLBGSK3AGSK3B
SCHEMBL7459070 0.88 KCNN4 (0.42) KCNN4KMT2APOLBGSK3AGSK3B
SCHEMBL7468575 0.86 KMT2A (0.46) KMT2APOLBGSK3AGSK3BALDH1A1
SCHEMBL5486423 0.84 RXRA (0.49) KCNN4POLB
SCHEMBL7455705 0.82 PIM1 (0.40) KCNN4GSK3AGSK3BALDH1A1HCRTR1
SCHEMBL7521190 0.82 KCNN4 (0.39) KCNN4POLBGSK3AGSK3BALDH1A1
SCHEMBL7457132 0.77 GSK3A (0.41) KMT2APOLBGSK3AGSK3BALDH1A1
SCHEMBL5492232 0.76 RARG (0.49) KMT2APOLBGSK3AGSK3BALDH1A1

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