SCHEMBL4648799

SCHEMBL4648799

O=S1(=O)NCCN1c1cc2cc(CCCOCCO)ccc2cc1O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31

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
SCHEMBL629366 0.83 PTPN1 (0.59) PTPN1DDB1CRBN
SCHEMBL4784078 0.81 PTPN1 (0.39) PTPN1
SCHEMBL4557317 0.79 PTPN1 (0.39) PTPN1
SCHEMBL4455622 0.73 DDB1 (0.31) DDB1CRBN
SCHEMBL629735 0.71 PTPN1 (0.56) PTPN1
SCHEMBL629274 0.70 PTPN1 (0.60) PTPN1
SCHEMBL2929513 0.69 PTPN1 (0.41) PTPN1
SCHEMBL630220 0.68 BCHE (0.37) PTPN1
SCHEMBL14299363 0.67 CYP1A2 (0.53)
SCHEMBL629955 0.66 PTPN1 (0.60) PTPN1

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-1963292-A2 ORGANIC COMPOUNDS Novartis Pharma AG (CH) 2008-09-03 EP disclosed
WO-2007067615-A2 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2007-06-14 WO disclosed