SCHEMBL4718779

SCHEMBL4718779

CCN(C)c1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])c1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
HTR6 P50406 4/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 4/20 0.43
PKM P14618 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL4766563 0.93 MAPT (0.52) MAPTHTR6HTTNPSR1MAPK1
SCHEMBL4723959 0.92 MAPT (0.44) MAPTHTR6HTTNPSR1MAPK1
SCHEMBL4721382 0.92 NPSR1 (0.44) MAPTHTR6HTTNPSR1MAPK1
SCHEMBL4720317 0.92 NPSR1 (0.44) MAPTHTR6HTTNPSR1MAPK1
SCHEMBL4723501 0.92 MAPT (0.47) MAPTHTR6HTTNPSR1MAPK1
SCHEMBL4721830 0.92 NPSR1 (0.44) MAPTHTR6HTTNPSR1MAPK1
SCHEMBL4720753 0.91 MAPT (0.43) MAPTHTR6HTTNPSR1MAPK1
SCHEMBL4723990 0.91 ALDH1A1 (0.49) MAPTHTR6HTTNPSR1MAPK1
SCHEMBL4721875 0.91 NPSR1 (0.43) MAPTHTR6HTTNPSR1MAPK1
SCHEMBL4719093 0.91 NPSR1 (0.43) MAPTHTR6HTTNPSR1MAPK1

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