SCHEMBL6040690

SCHEMBL6040690

CC(C)Oc1cc(NCc2ccccc2Cl)cc(Nc2ncc(C(=O)O)s2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.44
MAPK13 O15264 9/20 0.44
MAPK12 P53778 9/20 0.44
MAPK11 Q15759 9/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.40
GFER P55789 1/20 0.40
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PLA2G1B P04054 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39

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
SCHEMBL1798143 0.88 CSNK2A2 (0.47) MAPK14MAPK13MAPK12MAPK11SMN1; SMN2
SCHEMBL31482264 0.78 HDAC3 (0.50) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL2664708 0.77 CSNK2A2 (0.51) MAPTKDM4ECSNK2A2CSNK2A1
SCHEMBL2664704 0.75 SCD (0.52) CSNK2A2CSNK2A1
SCHEMBL14018652 0.75 SMN1; SMN2 (0.45) KMT2AMEN1RAB9ASMN1; SMN2GFER
SCHEMBL2664705 0.73 CSNK2A2 (0.47) CSNK2A2CSNK2A1
SCHEMBL2666371 0.71 MAOB (0.41) KMT2AMEN1RAB9ASMN1; SMN2GFER
SCHEMBL2664709 0.68 GCK (0.49) CSNK2A2CSNK2A1
SCHEMBL4252563 0.68 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11KMT2A
SCHEMBL9071499 0.67 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2POLBGFERNPC1

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-1420784-B1 COMPOUNDS EFFECTING GLUCOKINASE ASTRAZENECA AB (SE) 2006-04-19 EP disclosed