SCHEMBL9533152

SCHEMBL9533152

O=C1NC(=Cc2ccc(OCCN(CC(O)c3ccccc3)C(=O)OCc3ccccc3)cc2)C(=O)S1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.44
PTPN1 P18031 3/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
POLB P06746 1/20 0.44
CSNK2A2 P19784 1/20 0.39
CLK1 P49759 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MMP3 P08254 1/20 0.38
MMP13 P45452 1/20 0.38
PPARG P37231 1/20 0.37

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
SCHEMBL9533108 0.91 HPGD (0.57) HPGDPTPN1MAOAMAOBPOLB
SCHEMBL9533148 0.91 HPGD (0.57) HPGDPTPN1MAOAMAOBPOLB
SCHEMBL9536311 0.83 HPGD (0.49) HPGDPTPN1MAOAMAOBPOLB
SCHEMBL9533567 0.83 MEN1 (0.46) MEN1KMT2A
SCHEMBL9533458 0.79 FFAR1 (0.56) PPARG
SCHEMBL9534433 0.79 MEN1 (0.47) MEN1KMT2APPARG
SCHEMBL9533468 0.78 MEN1 (0.41) MEN1KMT2APPARG
SCHEMBL9433166 0.73 HPGD (0.75) HPGDPTPN1MAOAMAOBPOLB
SCHEMBL9536304 0.73 HPGD (0.64) HPGDPTPN1MAOAMAOBPOLB
SCHEMBL9536301 0.73 HPGD (0.64) HPGDPTPN1MAOAMAOBPOLB

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-0555251-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP plc (GB) 1993-08-18 EP claimed
WO-1992007838-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-05-14 WO claimed
EP-0555251-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP plc (GB) 1993-08-18 EP disclosed
WO-1992007838-A1 THIAZOLIDINE DIONE DERIVATIVES BEECHAM GROUP PLC (GB) 1992-05-14 WO disclosed