SCHEMBL5286182

SCHEMBL5286182

O=C1CCCc2cc(Nc3ccccc3[N+](=O)[O-])ccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CASP7 P55210 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH3A1 P30838 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK14 Q16539 12/20 0.47
BAZ2B Q9UIF8 1/20 0.47
EPAS1 Q99814 1/20 0.44
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
LRRK2 Q5S007 1/20 0.42
GRM5 P41594 1/20 0.42

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
SCHEMBL4225375 0.82 MAPK14 (0.65) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL5281489 0.79 MAPK14 (0.67) MAPK14BAZ2BMAPK13MAPK12MAPK11
SCHEMBL5286643 0.79 MAPK1 (0.47) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL23059073 0.74 MAPK14 (0.61) MAPK14
SCHEMBL11506844 0.74 ALDH1A1 (0.89) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL25875012 0.74 KIF11 (0.65) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL5285135 0.74 MAPK1 (0.50) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL4215203 0.73 MAPK14 (0.69) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL7167600 0.73 TDP1 (0.79) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL24927103 0.72 MAPK14 (0.72) MAPK14

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
WO-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO disclosed