SCHEMBL5554737

SCHEMBL5554737

Cc1ccccc1C(=O)c1cnc(Nc2ccc(C(N)=O)cc2)s1.Cc1ccccc1C(=O)c1cnc(Nc2ccc(CN)cc2)s1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.52
MAPK12 P53778 11/20 0.52
MAPK11 Q15759 11/20 0.52
MAPK14 Q16539 11/20 0.52
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL5554785 0.95 MAPK14 (0.57) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL5389323 0.93 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL27645597 0.87 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5559793 0.86 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5554742 0.85 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5560863 0.83 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5395402 0.83 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5389328 0.82 MAPK14 (0.60) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5554274 0.82 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14
SCHEMBL27666765 0.82 MAPK14 (0.49) 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 disclosed