SCHEMBL2649401

SCHEMBL2649401

COc1ccc(NC(=O)Nc2nc(C(=O)OC(=O)c3nc(NC(=O)Nc4ccc(N(C)C)cc4C(=O)C4CCCC4)sc3S(=O)(=O)c3ncc[nH]3)c(S(=O)(=O)c3ncc[nH]3)s2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
CSF1R P07333 3/20 0.32
AURKB Q96GD4 1/20 0.32
KMT2A Q03164 7/20 0.31
MEN1 O00255 6/20 0.31
MAPK1 P28482 2/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ITK Q08881 1/20 0.31
RIPK1 Q13546 1/20 0.31
RIPK3 Q9Y572 1/20 0.31
ABL1 P00519 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
MCL1 Q07820 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
SCHEMBL2649399 0.94 MAPT (0.38) MAPTRAB9ANPC1ALDH1A1GAA
SCHEMBL1342854 0.89 MAPT (0.32) MAPTGAAKMT2AMEN1
SCHEMBL1343203 0.88 MAPT (0.38) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL2651685 0.85 MAPT (0.38) MAPTRAB9ANPC1ALDH1A1GAA
SCHEMBL1341606 0.83 MAPT (0.31) MAPTGAAKMT2AMEN1
SCHEMBL2650681 0.82 MAPT (0.41) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL1342389 0.82 MAPT (0.37) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL1343099 0.81 MAPT (0.30) MAPT
SCHEMBL1342126 0.81 MAPT (0.36) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL1340110 0.81 MAPT (0.33) MAPTGAAKMT2AMEN1ITK

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