SCHEMBL2651247

SCHEMBL2651247

Cc1ccc(N(C(=O)Nc2ncc(S(=O)(=O)CCO)s2)N(C(=O)Nc2ncc(S(=O)(=O)CCO)s2)c2ccc(C)cc2C(=O)C2CCCC2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 5/20 0.34
TP53 P04637 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GAA P10253 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CG P48736 1/20 0.33
GRM4 Q14833 1/20 0.32
LCK P06239 1/20 0.32
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 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
SCHEMBL1341743 0.84 SMN1; SMN2 (0.38) SMN1; SMN2MAPTTP53TDP1NPC1
SCHEMBL1340974 0.77 SMN1; SMN2 (0.38) SMN1; SMN2MAPTTP53TDP1GAA
SCHEMBL1341508 0.76 SMN1; SMN2 (0.37) SMN1; SMN2MAPTTP53TDP1GAA
SCHEMBL1346351 0.75 SMN1; SMN2 (0.36) SMN1; SMN2MAPTTP53TDP1GAA
SCHEMBL1340947 0.75 SMN1; SMN2 (0.36) SMN1; SMN2MAPTTDP1GAA
SCHEMBL2651360 0.74 SMN1; SMN2 (0.35) SMN1; SMN2
SCHEMBL1341528 0.74 SMN1; SMN2 (0.38) SMN1; SMN2MAPTTP53TDP1NPC1
SCHEMBL2652027 0.73 OGA (0.44) SMN1; SMN2
SCHEMBL1340981 0.72 SMN1; SMN2 (0.37) SMN1; SMN2MAPTTDP1GAACCNE2
SCHEMBL1340483 0.72 SMN1; SMN2 (0.40) SMN1; SMN2MAPTNPC1RAB9AGAA

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