SCHEMBL2651685

SCHEMBL2651685

COc1ccc(NC(=O)Nc2nc(C(=O)OC(=O)c3nc(NC(=O)Nc4ccc(N(C)C)cc4C(=O)C4CCCC4)sc3S(=O)(=O)c3nnnn3C)c(S(=O)(=O)c3nnnn3C)s2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.38
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
HTT P42858 3/20 0.32
ALDH1A1 P00352 5/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.31
ITK Q08881 1/20 0.30
RIPK1 Q13546 1/20 0.30
RIPK3 Q9Y572 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2651693 0.95 MAPT (0.38) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1341125 0.89 GAA (0.34) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1342130 0.89 MAPT (0.38) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2649401 0.85 MAPT (0.37) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1343087 0.83 GAA (0.33) MAPTMEN1KMT2AGAA
SCHEMBL1341144 0.83 MAPT (0.37) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1342327 0.82 GAA (0.32) MAPTGAA
SCHEMBL1342942 0.82 MAPT (0.36) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2650681 0.81 MAPT (0.41) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1342617 0.80 MAPT (0.34) MAPTNPC1RAB9AMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 WO disclosed