SCHEMBL5554584

SCHEMBL5554584

[CH2]c1cc(C)c(Nc2ncc(C(=O)c3ccccc3C)s2)cc1C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.49
MAPK12 P53778 11/20 0.49
MAPK11 Q15759 11/20 0.49
MAPK14 Q16539 11/20 0.49
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PLA2G1B P04054 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45

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
SCHEMBL5634604 0.84 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5560185 0.84 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5559313 0.83 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5634600 0.77 NPC1 (0.70) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5634175 0.76 MAPK14 (0.60) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5634397 0.75 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5634110 0.75 MAPK13 (0.67) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5389328 0.75 MAPK14 (0.60) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5559309 0.75 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL5395408 0.75 MAPK13 (0.76) MAPK13MAPK12MAPK11MAPK14NPC1

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 claimed