SCHEMBL9433166

SCHEMBL9433166

O=C1NC(=Cc2ccc(OCCc3ccccc3)cc2)C(=O)S1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 13/20 0.75
PTPN1 P18031 5/20 0.59
CSNK2A2 P19784 1/20 0.57
CLK1 P49759 1/20 0.57
CSNK2B P67870 1/20 0.57
CSNK2A1 P68400 1/20 0.57
DYRK1A Q13627 1/20 0.57
DYRK2 Q92630 1/20 0.57
DYRK1B Q9Y463 1/20 0.57
MAOA P21397 2/20 0.56
MAOB P27338 2/20 0.56
POLB P06746 1/20 0.56
AKR1B1 P15121 2/20 0.52

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
SCHEMBL9326985 0.89 CSNK2A2 (0.62) HPGDPTPN1CSNK2A2CLK1CSNK2B
SCHEMBL9311896 0.87 HPGD (0.58) HPGDPTPN1CSNK2A2CLK1CSNK2B
SCHEMBL1300345 0.86 HPGD (1.00) HPGDPTPN1MAOAMAOBPOLB
SCHEMBL6866778 0.86 HPGD (1.00) HPGDPTPN1MAOAMAOBPOLB
SCHEMBL1300347 0.86 HPGD (1.00) HPGDPTPN1MAOAMAOBPOLB
SCHEMBL9124681 0.82 HPGD (0.53) HPGDPTPN1CSNK2A2CLK1CSNK2B
SCHEMBL9803959 0.81 CSNK2A2 (0.62) HPGDCSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL9430658 0.81 HPGD (0.51) HPGDPTPN1CSNK2A2CLK1CSNK2B
SCHEMBL9327176 0.80 PPARG (0.64) HPGDPTPN1CSNK2A2CLK1CSNK2B
SCHEMBL6866151 0.80 HPGD (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5326770-A Monoamine oxidase-B (MAO-B) inhibitory 5-substituted 2,4-thiazolidinediones useful in treating memory disorders of mammals THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-07-05 US disclosed