SCHEMBL2649337

SCHEMBL2649337

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CNC(=O)COC(=O)c2ccc(OCc3cnc(NC(=O)Nc4ccc(C)cc4C(=O)c4ccccc4OC)s3)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAA P10253 3/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 2/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 3/20 0.39
PLA2G1B P04054 1/20 0.39
MAPK1 P28482 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 2/20 0.39
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
DNMT1 P26358 1/20 0.38

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
SCHEMBL2649336 0.87 TP53 (0.45) POLBSMN1; SMN2TDP1GAATP53
SCHEMBL1343945 0.86 TP53 (0.50) POLBSMN1; SMN2TDP1GAATP53
SCHEMBL6693487 0.83 TP53 (0.47) POLBSMN1; SMN2GAATP53LMNA
SCHEMBL1341790 0.83 TP53 (0.48) SMN1; SMN2GAATP53LMNAMAPT
SCHEMBL1342685 0.83 TP53 (0.48) SMN1; SMN2GAATP53HPGDLMNA
SCHEMBL1497603 0.82 GAA (0.48) SMN1; SMN2GAATP53LMNAMAPT
SCHEMBL6701475 0.82 TP53 (0.46) SMN1; SMN2GAATP53LMNAMAPT
SCHEMBL2650328 0.81 GAA (0.46) SMN1; SMN2GAATP53LMNAMAPT
SCHEMBL1340636 0.81 TP53 (0.45) SMN1; SMN2GAATP53LMNAMAPT
SCHEMBL6701127 0.80 TP53 (0.46) SMN1; SMN2GAATP53LMNAMAPT

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