SCHEMBL4665835

SCHEMBL4665835

Cc1cnoc1CCC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
KLF5 Q13887 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIRT3 Q9NTG7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CAPN1 P07384 1/20 0.33
IDO1 P14902 1/20 0.32
NR4A2 P43354 1/20 0.32
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL15661877 0.70
SCHEMBL9536131 0.68
SCHEMBL12967744 0.67
SCHEMBL4662727 0.64 POLB (0.41) TP53RAB9AKLF5SMN1; SMN2ALDH1A1
SCHEMBL4664037 0.64 VHL (0.47) TP53RAB9AKLF5SMN1; SMN2HTT
SCHEMBL4664039 0.64 NR4A2 (0.41) TP53RAB9AKLF5SMN1; SMN2CAPN1
SCHEMBL9536340 0.64 ALDH1A1 (0.39) SIRT3TDP1ALDH1A1
SCHEMBL10788672 0.63 SIRT3 (0.51) SIRT3TDP1
SCHEMBL6017716 0.63 GPR17 (0.41) CAPN1IDO1HTTALDH1A1LMNA
SCHEMBL15659827 0.63

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-2007717-A1 NOVEL SULFONAMIDE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-31 EP disclosed
WO-2007116374-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-10-18 WO disclosed