SCHEMBL4724273

SCHEMBL4724273

Cc1cc(-c2cnco2)cc(-c2nn(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.59
LMNA P02545 3/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
HTT P42858 1/20 0.58
HTR6 P50406 1/20 0.58
NPSR1 Q6W5P4 7/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 7/20 0.51
POLB P06746 1/20 0.51
CYP2C9 P11712 2/20 0.50
CYP3A4 P08684 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.42
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4721133 0.92 MAPT (0.56) MAPTLMNAKMT2AMEN1HTT
SCHEMBL4719397 0.92 MAPT (0.56) MAPTLMNAKMT2AMEN1HTT
SCHEMBL4722721 0.90 MAPT (0.56) MAPTLMNAKMT2AMEN1HTT
SCHEMBL4722891 0.90 MAPT (0.69) MAPTLMNAKMT2AMEN1HTT
SCHEMBL14102011 0.86 SMN1; SMN2 (0.47) MAPTLMNAKMT2AMEN1HTT
SCHEMBL4718836 0.86 MAPT (0.64) MAPTLMNAKMT2AMEN1HTT
SCHEMBL4724738 0.85 MAPT (0.60) MAPTLMNAKMT2AMEN1HTT
SCHEMBL4722878 0.85 MAPT (0.59) MAPTLMNAKMT2AMEN1HTT
SCHEMBL4766617 0.85 MAPT (0.69) MAPTLMNAKMT2AMEN1HTT
SCHEMBL4721334 0.85 MAPT (0.80) 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