SCHEMBL4718775

SCHEMBL4718775

COC(=O)CN(C)c1cc(-c2cccc(OC)c2)nn(-c2cc(N3CCOCC3)ccc2[N+](=O)[O-])c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.46
MAPK1 P28482 3/20 0.46
LMNA P02545 3/20 0.46
PKM P14618 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 6/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 3/20 0.41
SLC6A9 P48067 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4723052 0.94 MAPT (0.45) MAPTMAPK1LMNAPKMTDP1
SCHEMBL4723501 0.91 MAPT (0.47) MAPTMAPK1LMNAPKMTDP1
SCHEMBL4722166 0.90 MAPT (0.45) MAPTMAPK1LMNAPKMTDP1
SCHEMBL4720297 0.89 MAPT (0.46) MAPTMAPK1LMNAPKMTDP1
SCHEMBL4723933 0.89 MAPT (0.46) MAPTMAPK1LMNAPKMTDP1
SCHEMBL4719698 0.89 MAPT (0.46) MAPTMAPK1LMNAPKMTDP1
SCHEMBL4722824 0.89 MAPT (0.47) MAPTMAPK1LMNAPKMTDP1
SCHEMBL4722352 0.89 MAPT (0.44) MAPTMAPK1LMNAPKMTDP1
SCHEMBL4722001 0.89 MAPT (0.45) MAPTMAPK1LMNAPKMTDP1
SCHEMBL4721834 0.88 ALDH1A1 (0.47) MAPTMAPK1LMNAPKMTDP1

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