SCHEMBL5560168

SCHEMBL5560168

COc1ccc(S(=O)(=O)Nc2ccc(Nc3ncc(C(=O)c4ccccc4C)s3)cc2)cc1.Cc1ccccc1C(=O)c1csc(Nc2ccc(N)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.51
MAPK12 P53778 2/20 0.51
MAPK11 Q15759 2/20 0.51
MAPK14 Q16539 2/20 0.51
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
MEN1 O00255 4/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL5559823 0.92 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5554634 0.91 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5559229 0.91 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5559000 0.90 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL5554708 0.90 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL5559225 0.89 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5393298 0.88 MAPK13 (0.64) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5554647 0.88 MAPK13 (0.42) MAPK13MAPK12MAPK11MAPK14CCNA2
SCHEMBL5555031 0.86 MEN1 (0.42) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL5559998 0.86 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14CCNA2

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