SCHEMBL7466463

SCHEMBL7466463

CN(C)c1cc(C=C2SC(=O)NC2=O)ccc1-c1cc2c(cc1C(F)(F)F)C(C)(C)CCC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 7/20 0.46
PIM2 Q9P1W9 7/20 0.46
GSK3B P49841 2/20 0.46
TTR P02766 1/20 0.46
CISD1 Q9NZ45 1/20 0.46
ESRRA P11474 8/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 2/20 0.42
ESRRB O95718 1/20 0.41
ESR1 P03372 1/20 0.41
ESRRG P62508 1/20 0.41
ESR2 Q92731 1/20 0.41
AKR1B1 P15121 1/20 0.41

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
SCHEMBL7466461 1.00 PIM1 (0.46) PIM1PIM2GSK3BTTRCISD1
SCHEMBL5490809 0.92 PIM1 (0.46) PIM1PIM2GSK3BTTRCISD1
SCHEMBL14492762 0.92 PIM1 (0.46) PIM1PIM2GSK3BTTRCISD1
SCHEMBL5490813 0.92 PIM1 (0.46) PIM1PIM2GSK3BTTRCISD1
SCHEMBL7457143 0.89 PIM1 (0.52) PIM1PIM2GSK3BCISD1HPGD
SCHEMBL7457146 0.89 PIM1 (0.52) PIM1PIM2GSK3BCISD1HPGD
SCHEMBL7461441 0.87 ESRRA (0.51) PIM1PIM2TTRCISD1ESRRA
SCHEMBL7461440 0.87 ESRRA (0.51) PIM1PIM2TTRCISD1ESRRA
SCHEMBL7463194 0.86 PIM1 (0.47) PIM1PIM2TTRCISD1ESRRA
SCHEMBL7466389 0.86 IGF1R (0.52) PIM1PIM2TTRCISD1ESRRA

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