SCHEMBL2662425

SCHEMBL2662425

Cc1ccc(NC(=O)Nc2ncc(COc3ccc(CCC(=O)OC(=O)CCc4ccc(SCc5cnc(NC(=O)Nc6ccc(C)cc6OCC(C)C)s5)cc4)cc3)s2)c(OCC(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.36
MAPK14 Q16539 6/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
MAPK13 O15264 3/20 0.33
MAPT P10636 1/20 0.33
FFAR1 O14842 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL2662424 0.94 FFAR1 (0.38) SIRT2FFAR1
SCHEMBL1342940 0.88 FFAR1 (0.38) SIRT2MAPK14KMT2AKDM4ELMNA
SCHEMBL1343648 0.87 FFAR1 (0.43) FFAR1
SCHEMBL1343806 0.84 SIRT2 (0.39) SIRT2MAPK14KMT2AKDM4ELMNA
SCHEMBL2649004 0.83 POLB (0.36) SIRT2MAPK14KMT2ALMNATP53
SCHEMBL6697415 0.82 HTT (0.41) SIRT2KMT2ALMNAHTTMAPT
SCHEMBL1340678 0.82 ITGB1 (0.41) SIRT2KMT2AKDM4ELMNAMAPT
SCHEMBL1342714 0.82 SMN1; SMN2 (0.45) SIRT2KMT2AKDM4ELMNATP53
SCHEMBL1342415 0.82 MAPK14 (0.41) SIRT2MAPK14KMT2ALMNAMAPK13
SCHEMBL1342171 0.80 MYC (0.43) RAB9ATDP1

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