SCHEMBL4722956

SCHEMBL4722956

C=Cc1cc(C)cc(-c2nn(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.63
HTR6 P50406 2/20 0.63
HTT P42858 1/20 0.63
LMNA P02545 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
NPSR1 Q6W5P4 6/20 0.56
MAPK1 P28482 1/20 0.55
CYP2C9 P11712 3/20 0.54
CYP3A4 P08684 1/20 0.54
ALDH1A1 P00352 6/20 0.53
POLB P06746 1/20 0.53
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2C19 P33261 1/20 0.45

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
SCHEMBL4719260 0.94 MAPT (0.65) MAPTHTR6HTTLMNAMEN1
SCHEMBL4722891 0.92 MAPT (0.69) MAPTHTR6HTTLMNAMEN1
SCHEMBL4723889 0.91 MAPT (0.66) MAPTHTR6HTTLMNAMEN1
SCHEMBL4722417 0.91 MAPT (0.61) MAPTHTR6HTTLMNAMEN1
SCHEMBL4723493 0.91 MAPT (0.61) MAPTHTR6HTTLMNAMEN1
SCHEMBL4723490 0.91 MAPT (0.61) MAPTHTR6HTTLMNAMEN1
SCHEMBL4722916 0.91 MAPT (0.61) MAPTHTR6HTTLMNAMEN1
SCHEMBL4719407 0.91 MAPT (0.61) MAPTHTR6HTTLMNAMEN1
SCHEMBL4723601 0.91 MAPT (0.61) MAPTHTR6HTTLMNAMEN1
SCHEMBL4722683 0.91 MAPT (0.61) MAPTHTR6HTTLMNAMEN1

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