SCHEMBL13349840

SCHEMBL13349840

O=Nc1cccc(OC2CCN(C(=O)C3CCOCC3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
RAB9A P51151 1/20 0.45
HRH3 Q9Y5N1 4/20 0.44
QPCT Q16769 1/20 0.44
QPCTL Q9NXS2 1/20 0.44
BRD4 O60885 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PIK3CA P42336 6/20 0.44
PIK3CD O00329 5/20 0.44

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
SCHEMBL13097137 0.85 NAMPT (0.48) NAMPTRAB9AHRH3QPCTQPCTL
SCHEMBL13097136 0.78 ALDH1A1 (0.54) NAMPTRAB9A
SCHEMBL13106512 0.78 MAPT (0.51) NAMPTRAB9AHRH3PIK3CAPIK3CD
SCHEMBL21814291 0.77 NAMPT (0.54) NAMPTHRH3BRD4PIK3CAPIK3CD
SCHEMBL3087361 0.75 HRH3 (0.78) HRH3
SCHEMBL21814274 0.73 HRH3 (0.53) HRH3PIK3CAPIK3CD
SCHEMBL25662665 0.73 HRH3 (0.53) NAMPTHRH3PIK3CAPIK3CD
SCHEMBL21814257 0.72 NAMPT (0.50) NAMPTRAB9AHRH3BRD4KMT2A
SCHEMBL21814260 0.71 HRH3 (0.51) HRH3PIK3CAPIK3CD
SCHEMBL29377558 0.71 HRH3 (0.51) HRH3PIK3CAPIK3CD

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
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP disclosed