SCHEMBL7320870

SCHEMBL7320870

CC(N)N(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.48
AKT1 P31749 3/20 0.47
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
SLC7A5 Q01650 1/20 0.43
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
CTSS P25774 2/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL25852154 0.89 KMT2A (0.59) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL4526992 0.87 L3MBTL1 (0.50) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL31667777 0.87 L3MBTL1 (0.50) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL25934543 0.85 L3MBTL1 (0.49) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL28273136 0.83 L3MBTL1 (0.57) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL30873949 0.83 L3MBTL1 (0.57) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL19502098 0.83 MEN1 (0.49) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL13731616 0.83 L3MBTL1 (0.57) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL8503058 0.83 MEN1 (0.43) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL4955854 0.82 MEN1 (0.61) MEN1KMT2AL3MBTL1ALDH1A1LMNA

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-1119529-B1 CHEMICAL CONSTRUCTS GLAXO GROUP LTD (GB) 2003-09-17 EP disclosed
EP-1119529-A2 CHEMICAL CONSTRUCTS GLAXO GROUP LIMITED (GB) 2001-08-01 EP disclosed
WO-2000020357-A2 CHEMICAL CONSTRUCTS GLAXO GROUP LIMITED (GB) 2000-04-13 WO disclosed