SCHEMBL7455705

SCHEMBL7455705

COc1cc2c(cc1-c1c(CN3C(=O)CSC3=O)cccc1OC(F)(F)F)C(C)(C)CCC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
KCNN4 O15554 6/20 0.39
HCRTR1 O43613 9/20 0.38
HCRTR2 O43614 9/20 0.38
GRIN2B Q13224 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7461597 0.90 KCNN4 (0.41) PIM1KCNN4GSK3AGSK3BALDH1A1
SCHEMBL7462920 0.90 PIM1 (0.40) PIM1KCNN4HCRTR1HCRTR2GSK3A
SCHEMBL7459645 0.88 PIM1 (0.39) PIM1KCNN4HCRTR1HCRTR2GSK3A
SCHEMBL7463920 0.87 PIM1 (0.40) PIM1KCNN4HCRTR1HCRTR2GSK3A
SCHEMBL7462919 0.84 PIM1 (0.41) PIM1GSK3AGSK3BALDH1A1
SCHEMBL7464760 0.82 KCNN4 (0.42) KCNN4HCRTR1HCRTR2GSK3AGSK3B
SCHEMBL7459751 0.78 PIM1 (0.39) PIM1GSK3AGSK3BALDH1A1
SCHEMBL7469002 0.77 PIM1 (0.43) PIM1KCNN4GSK3AGSK3BALDH1A1
SCHEMBL7469418 0.77 PIM1 (0.39) PIM1KCNN4GSK3AGSK3BALDH1A1
SCHEMBL7470549 0.76 PIM1 (0.42) PIM1KCNN4GSK3AGSK3BALDH1A1

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