SCHEMBL9312031

SCHEMBL9312031

O=C1NC(=Cc2ccc(OCCc3ccc4c(n3)CCCC4)cc2)C(=O)S1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 14/20 0.48
CSNK2A2 P19784 1/20 0.46
CLK1 P49759 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
DYRK1A Q13627 1/20 0.46
DYRK2 Q92630 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
CISD1 Q9NZ45 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL9312021 0.90 HPGD (0.61) HPGDPIM1PIM2CISD1HRH3
SCHEMBL9312600 0.79 ALDH1A1 (0.43) HPGD
SCHEMBL9311529 0.78 HPGD (0.53) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL8203885 0.77 HPGD (0.54) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL4762772 0.77 HPGD (0.54) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL2002768 0.76 HPGD (0.59) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
Hydrochloric Acid SCHEMBL5169131 0.76 PPARG (0.59) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL9430175 0.75 PPARG (0.40) HPGDHRH3
SCHEMBL9430167 0.75 PPARG (0.62) HPGDHRH3
SCHEMBL9311896 0.72 HPGD (0.58) HPGDCSNK2A2CLK1CSNK2BCSNK2A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5330999-A Diabetes, obesity ADIR ET COMPAGNIE (FR) 1994-07-19 US disclosed
US-5296605-A 2,4-thiazolidinedione compounds ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
US-5266582-A Antidiabetic agents ADIR ET COMPAGNIE (FR) 1993-11-30 US disclosed