SCHEMBL7459796

SCHEMBL7459796

CC1(C)CCC(C)(C)c2cc(C(F)(F)F)c(-c3ccc(CN4C(=O)CSC4=O)cc3Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
KCNN4 O15554 11/20 0.43
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PPARG P37231 1/20 0.35
AR P10275 1/20 0.34
PIM1 P11309 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
SCHEMBL7463053 0.89 POLB (0.43) POLBGSK3AGSK3BKCNN4ALDH1A1
SCHEMBL7458454 0.89 POLB (0.43) POLBGSK3AGSK3BKCNN4ALDH1A1
SCHEMBL7470275 0.87 KMT2A (0.43) POLBGSK3AGSK3BKCNN4ALDH1A1
SCHEMBL7468781 0.87 POLB (0.41) POLBGSK3AGSK3BKCNN4ALDH1A1
SCHEMBL7464561 0.86 GSK3A (0.47) POLBGSK3AGSK3BKCNN4ALDH1A1
SCHEMBL7459835 0.86 KCNN4 (0.42) POLBGSK3AGSK3BKCNN4ALDH1A1
SCHEMBL7466491 0.85 POLB (0.43) POLBGSK3AGSK3BKCNN4ALDH1A1
SCHEMBL7459735 0.82 PIM1 (0.42) POLBGSK3AGSK3BKCNN4ALDH1A1
SCHEMBL7460353 0.77 GSK3A (0.48) POLBGSK3AGSK3BKCNN4ALDH1A1
SCHEMBL7469002 0.77 PIM1 (0.43) POLBGSK3AGSK3BKCNN4ALDH1A1

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