SCHEMBL2649815

SCHEMBL2649815

Cc1ccc(NC(=O)Nc2ncc(CC(=O)OC(C(N)=O)c3cnc(NC(=O)Nc4ccc(C)cc4N4CCCCC4)s3)s2)c(N2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
MAPT P10636 5/20 0.37
TP53 P04637 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL1343056 0.85 POLB (0.45) POLBMAPTTP53SMN1; SMN2L3MBTL1
SCHEMBL1343304 0.82 POLB (0.46) POLBMAPTTP53SMN1; SMN2L3MBTL1
SCHEMBL2649813 0.82 POLB (0.42) POLBMAPTTP53SMN1; SMN2L3MBTL1
SCHEMBL2661997 0.82 ALDH1A1 (0.36) POLBMAPTSMN1; SMN2L3MBTL1TSHR
SCHEMBL1343909 0.81 POLB (0.44) POLBMAPTTP53SMN1; SMN2L3MBTL1
SCHEMBL1343083 0.80 POLB (0.44) POLBMAPTTP53SMN1; SMN2L3MBTL1
SCHEMBL1343200 0.80 POLB (0.42) POLBMAPTTP53SMN1; SMN2L3MBTL1
SCHEMBL1343375 0.79 SMN1; SMN2 (0.56) POLBMAPTTP53SMN1; SMN2
SCHEMBL6692117 0.79 POLB (0.42) POLBMAPTTP53SMN1; SMN2L3MBTL1
SCHEMBL1342210 0.79 POLB (0.42) POLBMAPTTP53SMN1; SMN2L3MBTL1

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