SCHEMBL630220

SCHEMBL630220

O=C1CNS(=O)(=O)N1c1cc2cc(CCCCCO)ccc2cc1O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.37
ACHE P22303 2/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
P2RY12 Q9H244 2/20 0.36
PTPN1 P18031 1/20 0.35
DHODH Q02127 2/20 0.34
NAAA Q02083 3/20 0.33
CA2 P00918 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
ASAH1 Q13510 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 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
SCHEMBL629274 0.79 PTPN1 (0.60) BCHEACHEPDE3BPDE3AP2RY12
SCHEMBL630202 0.68 PTPN1 (0.63) PTPN1
SCHEMBL4648799 0.68 PTPN1 (0.38) PTPN1
SCHEMBL629366 0.67 PTPN1 (0.59) PTPN1
SCHEMBL629293 0.67 PTPN1 (0.58) PDE3BPDE3AP2RY12PTPN1NAAA
SCHEMBL629760 0.66 PTPN1 (0.57) PTPN1
SCHEMBL629812 0.66 PTPN1 (0.60) PTPN1NAAAHDAC1HDAC8
SCHEMBL629955 0.66 PTPN1 (0.60) PTPN1HDAC1
SCHEMBL629289 0.65 PTPN1 (0.59) PDE3BPDE3AP2RY12PTPN1NAAA
SCHEMBL629691 0.65 PTPN1 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963292-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-02-22 EP disclosed