SCHEMBL7469418

SCHEMBL7469418

Cc1cc2c(cc1-c1c(CN3C(=O)CSC3=O)cccc1OC(C)C)C(C)(C)CCC2(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.39
TP53 P04637 3/20 0.37
MAPT P10636 2/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
RARG P13631 3/20 0.33
RARB P10826 2/20 0.33
RXRA P19793 3/20 0.32
RXRG P48443 2/20 0.32
RARA P10276 1/20 0.32
RXRB P28702 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KCNN4 O15554 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL7462919 0.90 PIM1 (0.41) PIM1TP53MAPTGSK3AGSK3B
SCHEMBL7459751 0.88 PIM1 (0.39) PIM1TP53MAPTGSK3AGSK3B
SCHEMBL7464451 0.86 PIM1 (0.44) PIM1TP53GSK3AGSK3BALDH1A1
SCHEMBL7465316 0.86 ALDH1A1 (0.39) PIM1TP53GSK3AGSK3BALDH1A1
SCHEMBL7461597 0.86 KCNN4 (0.41) PIM1GSK3AGSK3BALDH1A1RXRA
SCHEMBL7464136 0.86 PIM1 (0.44) PIM1TP53GSK3AGSK3BALDH1A1
SCHEMBL7470578 0.85 GSK3A (0.43) PIM1TP53GSK3AGSK3BALDH1A1
SCHEMBL7458926 0.84 PIM1 (0.42) PIM1TP53GSK3AGSK3BALDH1A1
SCHEMBL7467696 0.84 PIM1 (0.42) PIM1TP53MAPTGSK3AGSK3B
SCHEMBL7458779 0.82 PIM1 (0.41) PIM1TP53GSK3AGSK3BALDH1A1

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