SCHEMBL2651482

SCHEMBL2651482

COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CS(=O)(=O)c2ccc(CCC(=O)O)cc2)s1.COc1ccccc1C(=O)c1cc(C)ccc1NC(=O)Nc1ncc(CSc2ccc(C(=O)O)cc2)s1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 2/20 0.37
GCK P35557 1/20 0.35
ITGB1 P05556 7/20 0.35
ITGA4 P13612 7/20 0.35
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
AURKA O14965 1/20 0.32
THRB P10828 1/20 0.32
SCD O00767 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
SCHEMBL1343346 0.91 TP53 (0.43) TP53GAAPOLBITGB1ITGA4
SCHEMBL2651483 0.91 POLB (0.37) TP53GAAPOLBTDP1SMN1; SMN2
SCHEMBL1342589 0.90 TP53 (0.43) TP53GAAPOLBGCKITGB1
SCHEMBL1341673 0.88 TP53 (0.47) TP53GAAPOLBGCKSMN1; SMN2
SCHEMBL1342615 0.88 TP53 (0.48) TP53GAAPOLBTDP1SMN1; SMN2
SCHEMBL1341845 0.84 PTGDR2 (0.46) TP53GAAPOLBPTGDR2SMN1; SMN2
SCHEMBL6697191 0.84 TP53 (0.44) TP53GAAPOLBTDP1PTGDR2
SCHEMBL1343016 0.81 TP53 (0.47) TP53GAASMN1; SMN2MAPTLMNA
SCHEMBL1343035 0.80 TP53 (0.46) TP53GAASMN1; SMN2MAPTLMNA
SCHEMBL1340636 0.80 TP53 (0.45) TP53GAAITGB1ITGA4SMN1; SMN2

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