SCHEMBL6694934

SCHEMBL6694934

CCN(C(=O)NC(=N)N)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 2/20 0.56
GLA P06280 1/20 0.56
TSHR P16473 1/20 0.56
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 2/20 0.45
F2 P00734 2/20 0.43
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 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
SCHEMBL18762979 0.83 MEN1 (0.57) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL11617583 0.80 MEN1 (0.67) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL11658059 0.78 ALDH1A1 (0.38) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL966694 0.78 MEN1 (0.69) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL2640927 0.78 MEN1 (0.69) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL6692879 0.77 MEN1 (0.38) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL10709649 0.77 MEN1 (0.54) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL340272 0.77 ALDH1A1 (0.70) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL1520370 0.77 MEN1 (0.66) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL11663975 0.77 MEN1 (0.35) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3553083-B2 2004-08-11 JP claimed
EP-0852494-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-07-15 EP claimed
WO-1997009973-A2 PERIPHERALLY ACTIVE ANTI-HYPERALGESIC OPIATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-03-20 WO claimed