SCHEMBL4722074

SCHEMBL4722074

COc1cccc(-c2cc(C(=O)OCC(C)C)c(=O)n(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.44
MAPK1 P28482 3/20 0.44
PKM P14618 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.44
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
ALDH1A1 P00352 7/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
NPSR1 Q6W5P4 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 1/20 0.40
DNMT1 P26358 1/20 0.40
APEX1 P27695 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
SCHEMBL4721969 0.92 MAPT (0.47) MAPTMAPK1PKMTDP1LMNA
SCHEMBL4722827 0.88 MAPT (0.52) MAPTMAPK1PKMTDP1LMNA
SCHEMBL4720627 0.88 MAPT (0.49) MAPTMAPK1PKMTDP1LMNA
SCHEMBL4725009 0.86 MAPT (0.47) MAPTMAPK1PKMTDP1LMNA
SCHEMBL4723012 0.86 MAPT (0.45) MAPTMAPK1PKMTDP1LMNA
SCHEMBL4724676 0.86 MAPT (0.46) MAPTMAPK1PKMTDP1LMNA
SCHEMBL4723674 0.85 MAPT (0.47) MAPTMAPK1PKMTDP1LMNA
SCHEMBL4723306 0.84 NPSR1 (0.48) MAPTMAPK1PKMTDP1LMNA
SCHEMBL4718605 0.84 MAPT (0.46) MAPTMAPK1PKMTDP1LMNA
SCHEMBL4720779 0.84 MAPT (0.47) MAPTMAPK1PKMTDP1LMNA

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