SCHEMBL7465028

SCHEMBL7465028

COc1cc(CN2C(=O)CSC2=O)cc(F)c1-c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
KMT2A Q03164 2/20 0.36
PIM1 P11309 1/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 6/20 0.35
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
PAX8 Q06710 1/20 0.33
RXRA P19793 3/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 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
SCHEMBL5488628 0.86 GSK3A (0.39) GSK3AGSK3BKMT2APIM1POLB
SCHEMBL5492206 0.85 GSK3A (0.39) GSK3AGSK3BKMT2APOLBSMN1; SMN2
SCHEMBL7462900 0.84 KMT2A (0.38) GSK3AGSK3BKMT2APIM1POLB
SCHEMBL7468575 0.83 KMT2A (0.46) GSK3AGSK3BKMT2APOLBSMN1; SMN2
SCHEMBL5490078 0.80 PIM1 (0.39) GSK3AGSK3BPIM1POLBALDH1A1
SCHEMBL7462758 0.80 PIM1 (0.42) GSK3AGSK3BKMT2APIM1POLB
SCHEMBL7462919 0.80 PIM1 (0.41) GSK3AGSK3BKMT2APIM1POLB
SCHEMBL5487597 0.80 GSK3A (0.36) GSK3AGSK3BKMT2APIM1POLB
SCHEMBL5486165 0.79 GSK3A (0.36) GSK3AGSK3BKMT2APIM1POLB
SCHEMBL7522730 0.78 POLB (0.34) GSK3AGSK3BKMT2APIM1POLB

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