SCHEMBL13741880

SCHEMBL13741880

C[N+](=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 17/20 0.80
MAPK14 Q16539 17/20 0.80
MAPK13 O15264 16/20 0.80
MAPK12 P53778 16/20 0.80
ALOX5 P09917 13/20 0.80
ALDH1A1 P00352 4/20 0.80
RIPK2 O43353 3/20 0.80
CYP3A4 P08684 3/20 0.80
ALOX15 P16050 3/20 0.80
MAPK1 P28482 3/20 0.80
GMNN O75496 2/20 0.80
LMNA P02545 2/20 0.80
MAPT P10636 2/20 0.80
NFKB1 P19838 2/20 0.80
THPO P40225 2/20 0.80
BLM P54132 2/20 0.80
PMP22 Q01453 2/20 0.80
TDP1 Q9NUW8 2/20 0.80
MEN1 O00255 2/20 0.80
KMT2A Q03164 2/20 0.80

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
Pd-169316 SCHEMBL154958 0.89 MAPK14 (1.00) MAPK11MAPK14MAPK13MAPK12ALOX5
Pd-169316 SCHEMBL9899161 0.89 MAPK14 (1.00) MAPK11MAPK14MAPK13MAPK12ALOX5
SCHEMBL19868925 0.88 MAPK11 (1.00) MAPK11MAPK14MAPK13MAPK12ALOX5
SCHEMBL15075603 0.88 MAPK11 (1.00) MAPK11MAPK14MAPK13MAPK12ALOX5
SCHEMBL2650684 0.84 MAPK11 (1.00) MAPK11MAPK14MAPK13MAPK12ALOX5
SCHEMBL4552316 0.82 MAPK14 (1.00) MAPK11MAPK14MAPK13MAPK12ALOX5
SCHEMBL9195042 0.82 MAPK14 (1.00) MAPK11MAPK14MAPK13MAPK12ALOX5
SCHEMBL2650702 0.82 MAPK11 (1.00) MAPK11MAPK14MAPK13MAPK12ALOX5
SCHEMBL20335253 0.82 MAPK11 (0.81) MAPK11MAPK14MAPK13MAPK12ALOX5
SCHEMBL6469126 0.81 MAPK13 (1.00) MAPK11MAPK14MAPK13MAPK12ALOX5

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-2009102498-A1 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2009-08-20 WO disclosed