SCHEMBL5286643

SCHEMBL5286643

CC1(C)CCc2cc(Nc3ccccc3[N+](=O)[O-])ccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CASP7 P55210 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
MAPK14 Q16539 11/20 0.42
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
ALDH3A1 P30838 2/20 0.42
EPAS1 Q99814 1/20 0.41
LRRK2 Q5S007 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5289299 0.81 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5295739 0.79 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11DGAT1
SCHEMBL5286182 0.79 MAPK1 (0.51) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL4225375 0.79 MAPK14 (0.65) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL5299097 0.78 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11DGAT1
SCHEMBL5285908 0.76 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11DGAT1
SCHEMBL2986244 0.76 MAPK1 (0.54) MAPK1TDP1ALDH1A1CASP7L3MBTL1
SCHEMBL5300161 0.74 ALDH3A1 (0.46) MAPK1TDP1ALDH1A1L3MBTL1MEN1
SCHEMBL23059073 0.73 MAPK14 (0.61) MAPK14
SCHEMBL23058982 0.73 MAPK14 (0.63) 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