SCHEMBL4722344

SCHEMBL4722344

Cc1coc2ccc(-c3nn(-c4cc(N5CCOCC5)ccc4[N+](=O)[O-])c(=O)c4ccccc34)cc12

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.62
LMNA P02545 4/20 0.62
KMT2A Q03164 4/20 0.62
MEN1 O00255 2/20 0.62
HTT P42858 1/20 0.61
HTR6 P50406 1/20 0.61
NPSR1 Q6W5P4 6/20 0.56
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 8/20 0.53
POLB P06746 1/20 0.53
CYP2C9 P11712 2/20 0.52
CYP3A4 P08684 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 2/20 0.48
TDP1 Q9NUW8 1/20 0.45
CYP2C19 P33261 1/20 0.45
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44

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 0.87 MAPT (0.80) MAPTLMNAKMT2AMEN1HTT
SCHEMBL4721633 0.86 MAPT (0.62) MAPTLMNAKMT2AMEN1HTT
SCHEMBL4721356 0.85 MAPT (0.62) MAPTLMNAKMT2AMEN1HTT
SCHEMBL4766617 0.85 MAPT (0.69) MAPTLMNAKMT2AMEN1HTT
SCHEMBL4722891 0.85 MAPT (0.69) MAPTLMNAKMT2AMEN1HTT
SCHEMBL4720709 0.85 MAPT (0.59) MAPTLMNAKMT2AMEN1HTT
SCHEMBL4720177 0.84 MAPT (0.65) MAPTLMNAKMT2AMEN1HTT
SCHEMBL4723512 0.84 MAPT (0.62) MAPTLMNAKMT2AMEN1HTT
SCHEMBL4720975 0.83 NPSR1 (0.64) MAPTLMNAKMT2AMEN1HTT
SCHEMBL4723810 0.83 MAPT (0.68) MAPTLMNAKMT2AMEN1HTT

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