SCHEMBL4782949

SCHEMBL4782949

CCN(C(=O)NS(C)(=O)=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 3/20 0.58
GLA P06280 1/20 0.58
TSHR P16473 1/20 0.58
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TP53 P04637 2/20 0.46
NR3C2 P08235 1/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL11659307 0.79 MEN1 (0.65) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL2640927 0.79 MEN1 (0.69) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL966694 0.79 MEN1 (0.69) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL5995235 0.78 ALDH1A1 (0.54) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL11617583 0.77 MEN1 (0.67) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL965733 0.77 MEN1 (0.67) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL4294745 0.77 MEN1 (0.67) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL4304223 0.76 MEN1 (1.00) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL11223447 0.75 EGFR (0.53) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL11221787 0.75 EGFR (0.53) MEN1KMT2AALDH1A1GLATSHR

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
WO-2008075064-A1 PIPERIDINE DERIVATIVES FOR THE TREATMENT OF OBESITY ASTRAZENECA AB (SE) 2008-06-26 WO disclosed