SCHEMBL4719698

SCHEMBL4719698

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
MAPK1 P28482 3/20 0.46
PKM P14618 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 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
SCHEMBL4722166 0.90 MAPT (0.45) MAPTMAPK1PKMTDP1LMNA
SCHEMBL4723933 0.90 MAPT (0.46) MAPTMAPK1PKMTDP1LMNA
SCHEMBL4720297 0.90 MAPT (0.46) MAPTMAPK1PKMTDP1LMNA
SCHEMBL4718775 0.89 MAPT (0.46) MAPTMAPK1PKMTDP1LMNA
SCHEMBL4722352 0.89 MAPT (0.44) MAPTMAPK1PKMTDP1LMNA
SCHEMBL4723052 0.88 MAPT (0.45) MAPTMAPK1PKMTDP1LMNA
SCHEMBL4723501 0.88 MAPT (0.47) MAPTMAPK1PKMTDP1LMNA
SCHEMBL4721834 0.88 ALDH1A1 (0.47) MAPTMAPK1PKMTDP1LMNA
SCHEMBL4722824 0.86 MAPT (0.47) MAPTMAPK1PKMTDP1LMNA
SCHEMBL4719696 0.86 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