SCHEMBL4720627

SCHEMBL4720627

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.49
MAPK1 P28482 3/20 0.49
PKM P14618 2/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SLC6A9 P48067 1/20 0.47
SLC6A5 Q9Y345 1/20 0.47
HTT P42858 1/20 0.46
HTR6 P50406 1/20 0.46
ALDH1A1 P00352 8/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4722827 0.94 MAPT (0.52) MAPTMAPK1PKMLMNATDP1
SCHEMBL4723012 0.92 MAPT (0.45) MAPTMAPK1PKMLMNATDP1
SCHEMBL4725009 0.92 MAPT (0.47) MAPTMAPK1PKMLMNATDP1
SCHEMBL4724676 0.91 MAPT (0.46) MAPTMAPK1PKMLMNATDP1
SCHEMBL4721969 0.90 MAPT (0.47) MAPTMAPK1PKMLMNATDP1
SCHEMBL4724283 0.90 MAPT (0.50) MAPTMAPK1PKMLMNATDP1
SCHEMBL4722074 0.88 MAPT (0.44) MAPTMAPK1PKMLMNATDP1
SCHEMBL4722671 0.87 MAPT (0.50) MAPTMAPK1PKMLMNATDP1
SCHEMBL4720172 0.87 MAPT (0.54) MAPTMAPK1PKMLMNATDP1
SCHEMBL4721108 0.87 MAPT (0.48) MAPTMAPK1PKMLMNATDP1

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