SCHEMBL6692879

SCHEMBL6692879

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.36
PLAU P00749 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PPIB P23284 1/20 0.33

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
SCHEMBL2641138 0.80 KMT2A (0.42) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL5510643 0.79 ALDH1A1 (0.44) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL5177934 0.78 MEN1 (0.37) MEN1KMT2A
SCHEMBL6694934 0.77 MEN1 (0.59) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL2640937 0.77 HTT (0.41) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL8392178 0.76 ALDH1A1 (0.44) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL5510183 0.76 TP53 (0.41) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL25336401 0.76 ALDH1A1 (0.47) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL5512049 0.76 ALDH1A1 (0.47) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL7748109 0.75 KMT2A (0.39) 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