SCHEMBL6160793

SCHEMBL6160793

Nc1cccc(CC(=O)NO)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.60
HDAC6 Q9UBN7 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
GLS O94925 3/20 0.57
ROCK1 Q13464 1/20 0.48
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
HDAC1 Q13547 1/20 0.46
CYP19A1 P11511 1/20 0.44
AOC2 O75106 1/20 0.44
HDAC2 Q92769 1/20 0.43
DDX3X O00571 1/20 0.43

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
SCHEMBL15522983 0.86 HDAC1 (0.65) HDAC8HDAC6MEN1KMT2AGLS
SCHEMBL27208476 0.85 AOC2 (0.59) HDAC8HDAC6MEN1KMT2AGLS
SCHEMBL1634793 0.84 GLS (0.52) HDAC8HDAC6MEN1KMT2AGLS
SCHEMBL11627613 0.81 GLS (0.50) MEN1KMT2AGLSROCK1MAOA
SCHEMBL1632800 0.80 GLS (0.49) MEN1KMT2AGLSROCK1
SCHEMBL11627168 0.80 CA1 (0.54) GLSROCK1MAOAMAOBAOC2
SCHEMBL11625886 0.80 ALDH1A1 (0.59) HDAC8HDAC6MEN1KMT2AHDAC1
SCHEMBL10160138 0.80 EPHX2 (0.69) HDAC8HDAC6MEN1KMT2AGLS
SCHEMBL11627073 0.80 EPHX2 (0.58) KMT2AGLS
SCHEMBL2507987 0.80 GLS (0.49) MEN1KMT2AGLSROCK1MAOA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed