SCHEMBL2652268

SCHEMBL2652268

CNC(=O)c1cnc(NC(=O)Nc2ccc(C)cc2N2CCCCC2)s1.Cc1ccc(NC(=O)Nc2ncc(C(=O)O)s2)c(N2CCCCC2)c1.Cc1ccc(NC(=O)Nc2ncc(C(N)=O)s2)c(N2CCCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
MAPK14 Q16539 3/20 0.37
DHODH Q02127 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PRNP P04156 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CSF1R P07333 1/20 0.35

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
SCHEMBL1341143 0.92 POLB (0.46) POLBMAPTTP53MAPK14NPSR1
SCHEMBL1342694 0.91 POLB (0.47) POLBMAPTTP53MAPK14NPSR1
SCHEMBL1343201 0.90 POLB (0.48) POLBMAPTTP53DHODHNPSR1
SCHEMBL1342394 0.84 POLB (0.42) POLBMAPTTP53MAPK14DHODH
SCHEMBL1343249 0.82 POLB (0.43) POLBMAPTTP53NPSR1L3MBTL1
SCHEMBL1343252 0.81 POLB (0.44) POLBMAPTTP53NPSR1L3MBTL1
SCHEMBL1341038 0.81 F10 (0.41) POLBMAPTTP53L3MBTL1MEN1
SCHEMBL1343212 0.81 MAPT (0.41) POLBMAPTTP53MAPK14DHODH
SCHEMBL6695568 0.80 POLB (0.40) POLBMAPTTP53DHODHNPSR1
SCHEMBL1343250 0.80 POLB (0.40) POLBMAPTTP53DHODHNPSR1

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