SCHEMBL4766563

SCHEMBL4766563

CCN(C)c1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCCCC3)ccc2[N+](=O)[O-])c1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.52
MAPK1 P28482 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 2/20 0.46
HTR6 P50406 1/20 0.44
ALDH1A1 P00352 8/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 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
SCHEMBL4721382 0.93 NPSR1 (0.44) MAPTMAPK1NPSR1HTTHTR6
SCHEMBL4720317 0.93 NPSR1 (0.44) MAPTMAPK1NPSR1HTTHTR6
SCHEMBL4718779 0.93 MAPT (0.53) MAPTMAPK1NPSR1HTTHTR6
SCHEMBL4721830 0.92 NPSR1 (0.44) MAPTMAPK1NPSR1HTTHTR6
SCHEMBL4723501 0.92 MAPT (0.47) MAPTMAPK1NPSR1HTTHTR6
SCHEMBL4721181 0.92 NPSR1 (0.44) MAPTMAPK1NPSR1HTTHTR6
SCHEMBL4719093 0.92 NPSR1 (0.43) MAPTMAPK1NPSR1HTTHTR6
SCHEMBL4721875 0.92 NPSR1 (0.43) MAPTMAPK1NPSR1HTTHTR6
SCHEMBL4723959 0.92 MAPT (0.44) MAPTMAPK1NPSR1HTTHTR6
SCHEMBL4721926 0.91 MAPT (0.44) MAPTMAPK1NPSR1HTTHTR6

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed