SCHEMBL7459835

SCHEMBL7459835

CC1(C)CCC(C)(C)c2cc(C(F)(F)F)c(-c3ccc(CN4C(=O)CSC4=O)cc3OC(F)(F)F)cc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 15/20 0.42
POLB P06746 1/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL7470275 0.92 KMT2A (0.43) KCNN4POLBGSK3AGSK3BALDH1A1
SCHEMBL7459610 0.90 KCNN4 (0.43) KCNN4POLBGSK3AGSK3BALDH1A1
SCHEMBL7464760 0.89 KCNN4 (0.42) KCNN4POLBGSK3AGSK3BALDH1A1
SCHEMBL7459070 0.88 KCNN4 (0.42) KCNN4POLBGSK3AGSK3BALDH1A1
SCHEMBL7463053 0.87 POLB (0.43) KCNN4POLBGSK3AGSK3BALDH1A1
SCHEMBL7458454 0.87 POLB (0.43) KCNN4POLBGSK3AGSK3BALDH1A1
SCHEMBL7459796 0.86 POLB (0.45) KCNN4POLBGSK3AGSK3BALDH1A1
SCHEMBL7468781 0.84 POLB (0.41) KCNN4POLBGSK3AGSK3BALDH1A1
SCHEMBL7466491 0.83 POLB (0.43) KCNN4POLBGSK3AGSK3BALDH1A1
SCHEMBL5486423 0.83 RXRA (0.49) KCNN4POLB

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