SCHEMBL14101749

SCHEMBL14101749

Cc1ccc(-c2nn(-c3cc(N4CCOCC4)ccc3[N+](C)=O)c(=O)c3ccccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.69
LMNA P02545 3/20 0.69
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
HTT P42858 3/20 0.62
HTR6 P50406 1/20 0.62
NPSR1 Q6W5P4 6/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 2/20 0.56
MAPK1 P28482 2/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALDH1A1 P00352 5/20 0.50
POLB P06746 2/20 0.50
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL4721334 0.93 MAPT (0.80) MAPTLMNAMEN1KMT2AHTT
SCHEMBL4722891 0.85 MAPT (0.69) MAPTLMNAMEN1KMT2AHTT
SCHEMBL4766617 0.84 MAPT (0.69) MAPTLMNAMEN1KMT2AHTT
SCHEMBL14101812 0.83 MAPT (0.56) MAPTLMNAMEN1KMT2AHTT
SCHEMBL4723810 0.83 MAPT (0.68) MAPTLMNAMEN1KMT2AHTT
SCHEMBL4723916 0.83 MAPT (0.68) MAPTLMNAMEN1KMT2AHTT
SCHEMBL4720719 0.83 NPSR1 (0.69) MAPTLMNAMEN1KMT2AHTT
SCHEMBL4719291 0.83 MAPT (0.68) MAPTLMNAMEN1KMT2AHTT
SCHEMBL14101808 0.83 NPSR1 (0.56) MAPTLMNAMEN1KMT2AHTT
SCHEMBL4718836 0.82 MAPT (0.64) MAPTLMNAMEN1KMT2AHTT

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