SCHEMBL4724676

SCHEMBL4724676

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
PKM P14618 2/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPSR1 Q6W5P4 3/20 0.45
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
HTT P42858 1/20 0.44
HTR6 P50406 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42

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 0.93 MAPT (0.52) MAPTPKMMAPK1LMNATDP1
SCHEMBL4720627 0.91 MAPT (0.49) MAPTPKMMAPK1LMNATDP1
SCHEMBL4723012 0.89 MAPT (0.45) MAPTPKMMAPK1LMNATDP1
SCHEMBL4725009 0.89 MAPT (0.47) MAPTPKMMAPK1LMNATDP1
SCHEMBL4721969 0.88 MAPT (0.47) MAPTPKMMAPK1LMNATDP1
SCHEMBL4724283 0.87 MAPT (0.50) MAPTPKMMAPK1LMNATDP1
SCHEMBL4722671 0.86 MAPT (0.50) MAPTPKMMAPK1LMNATDP1
SCHEMBL4720172 0.86 MAPT (0.54) MAPTPKMMAPK1LMNATDP1
SCHEMBL4721108 0.86 MAPT (0.48) MAPTPKMMAPK1LMNATDP1
SCHEMBL4722604 0.86 MAPT (0.51) MAPTPKMMAPK1LMNATDP1

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