SCHEMBL27870554

SCHEMBL27870554

C=CC(N1CCN(C)CC1)S(=O)(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
LMNA P02545 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 1/20 0.44
HTR6 P50406 5/20 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
SCHEMBL992901 0.80 PKM (0.66) MAPTLMNAKMT2AMEN1SIRT6
SCHEMBL6055083 0.76 VCAM1 (0.69) MAPTLMNAKMT2AMEN1SIRT6
SCHEMBL3147203 0.75 SIRT6 (0.83) MAPTSIRT6L3MBTL1ALDH1A1CYP1A2
SCHEMBL5951699 0.74 KMT2A (0.71) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL27788104 0.73 CHRM2 (0.50) TDP1SMN1; SMN2CYP2C19HTR6
SCHEMBL1911607 0.72 MAPT (0.71) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL27605812 0.71 PARG (0.40) MAPTLMNAKMT2AMEN1TDP1
SCHEMBL1847175 0.69 SIRT6 (1.00) MAPTSIRT6L3MBTL1ALDH1A1CYP1A2
SCHEMBL27845916 0.68 SMN1; SMN2 (0.40) MAPTKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL27951598 0.68 CHRM2 (0.36) MAPTKMT2AMEN1SIRT6PKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471317-B Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH 2014-02-26 CN disclosed
CN-102471317-A Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH 2012-05-23 CN disclosed