SCHEMBL5559313

SCHEMBL5559313

[CH2]c1cc(F)cc(Nc2ncc(C(=O)c3ccccc3C)s2)c1C

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.53
MAPK12 P53778 10/20 0.53
MAPK11 Q15759 10/20 0.53
MAPK14 Q16539 10/20 0.53
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL5554584 0.83 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5634604 0.81 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5634628 0.78 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5560185 0.78 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5634110 0.77 MAPK13 (0.67) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5634600 0.73 NPC1 (0.70) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5634175 0.73 MAPK14 (0.60) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5635191 0.73 MAPK13 (0.56) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5634397 0.72 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5389328 0.72 MAPK14 (0.60) 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