SCHEMBL2651693

SCHEMBL2651693

CN(C)c1ccc(NC(=O)Nc2nc(C(=O)O)c(S(=O)(=O)c3nnnn3C)s2)c(C(=O)C2CCCC2)c1.COc1ccc(NC(=O)Nc2nc(C(=O)O)c(S(=O)(=O)c3nnnn3C)s2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.38
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MEN1 O00255 7/20 0.32
KMT2A Q03164 7/20 0.32
HTT P42858 3/20 0.32
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 3/20 0.32
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
POLB P06746 2/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
HSD17B10 Q99714 1/20 0.30
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 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
SCHEMBL2651685 0.95 MAPT (0.38) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1341125 0.95 GAA (0.34) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1342130 0.95 MAPT (0.38) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2650681 0.87 MAPT (0.41) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1342857 0.85 ABCC1 (0.33) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1341843 0.85 TP53 (0.35) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1342581 0.85 GAA (0.34) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL2649399 0.85 MAPT (0.38) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1343087 0.84 GAA (0.33) MAPTMEN1KMT2AGAATP53
SCHEMBL1341144 0.84 MAPT (0.37) 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