SCHEMBL5559000

SCHEMBL5559000

COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Nc3ncc(C(=O)c4ccccc4C)s3)cc2)c1.Cc1ccccc1C(=O)c1csc(Nc2ccc(N)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.47
MAPK12 P53778 2/20 0.47
MAPK11 Q15759 2/20 0.47
MAPK14 Q16539 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
ALPL P05186 4/20 0.44
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5555031 0.94 MEN1 (0.42) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL5559335 0.92 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14ALPL
SCHEMBL5560168 0.90 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL5559823 0.90 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14ALPL
SCHEMBL5388429 0.89 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL5554647 0.88 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL5560777 0.86 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5554746 0.85 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5560972 0.85 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL5560802 0.84 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14

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-1658288-B1 2-AMINO-5-BENZOYLTHIAZOLE NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-12-05 EP disclosed