SCHEMBL3929043

SCHEMBL3929043

CNS(=O)(=O)c1ccc(CNCCO)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 1/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
CA1 P00915 8/20 0.46
CA2 P00918 8/20 0.46
CA12 O43570 4/20 0.46
CA9 Q16790 4/20 0.46
CA4 P22748 3/20 0.46
CA3 P07451 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA13 Q8N1Q1 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL21616621 0.81 PSIP1 (0.50) SMN1; SMN2GAAPDCD1CD274CA1
SCHEMBL21165417 0.79 CA2 (0.62) SMN1; SMN2GAACA1CA2CA12
SCHEMBL28039061 0.79 CA2 (0.64) SMN1; SMN2GAACA1CA2CA12
SCHEMBL1859957 0.78 CA1 (0.62) NAMPTSMN1; SMN2GAACA1CA2
SCHEMBL15699779 0.78 SMN1; SMN2 (0.57) NAMPTSMN1; SMN2GAACA1CA2
SCHEMBL1625535 0.78 SMN1; SMN2 (0.64) SMN1; SMN2GAAPDCD1CD274MAOA
SCHEMBL8029246 0.76 CHRM2 (0.51) SMN1; SMN2PDCD1CD274CA1CA2
SCHEMBL24285412 0.76 CA1 (0.44) NAMPTSMN1; SMN2GAACA1CA2
SCHEMBL568013 0.76 SMN1; SMN2 (0.50) NAMPTSMN1; SMN2GAACA1CA2
SCHEMBL1751928 0.75 SMN1; SMN2 (0.53) NAMPTSMN1; SMN2GAACA1CA2

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
EP-1797074-A4 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF IIII ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
EP-1797074-A1 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF IIII AstraZeneca AB (SE) 2007-06-20 EP disclosed
WO-2006033627-A1 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF IIII ASTRAZENECA AB (SE) 2006-03-30 WO disclosed