SCHEMBL7522730

SCHEMBL7522730

COc1cc(CN2C(=O)CSC2=O)cc(F)c1-c1cc2c(cc1S(C)(=O)=O)C(S(C)(=O)=O)(S(C)(=O)=O)CCC2(S(C)(=O)=O)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
PAX8 Q06710 1/20 0.33
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
PIM1 P11309 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
KCNN4 O15554 1/20 0.30
TP53 P04637 1/20 0.30

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 0.78 GSK3A (0.38) POLBKMT2APAX8GSK3AGSK3B
SCHEMBL7521133 0.77 POLB (0.42) POLBKMT2AGSK3AGSK3BPIM1
SCHEMBL7555602 0.76 POLB (0.44) POLBKMT2AGSK3AGSK3BPIM1
SCHEMBL7517515 0.75 PIM1 (0.39) POLBGSK3AGSK3BPIM1ALDH1A1
SCHEMBL5488628 0.66 GSK3A (0.39) POLBKMT2AGSK3AGSK3BPIM1
SCHEMBL5492206 0.64 GSK3A (0.39) POLBKMT2APAX8GSK3AGSK3B
SCHEMBL7468575 0.63 KMT2A (0.46) POLBKMT2APAX8GSK3AGSK3B
SCHEMBL5455158 0.63 GSK3A (0.55) POLBKMT2APAX8GSK3AGSK3B
SCHEMBL7462900 0.62 KMT2A (0.38) POLBKMT2APAX8GSK3AGSK3B
SCHEMBL7470275 0.62 KMT2A (0.43) POLBKMT2APAX8GSK3AGSK3B

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 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