SCHEMBL2649969

SCHEMBL2649969

CSc1cnc(NC(=O)C(=O)Nc2ccc(C)cc2C(=O)C2CCCC2)s1.Cc1ccc(NC(=O)C(=O)Nc2ncc(Cl)s2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
FFAR2 O15552 1/20 0.38
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK5 Q00535 1/20 0.37
LCK P06239 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
GCK P35557 1/20 0.35
KCNH2 Q12809 1/20 0.35
ABCC1 P33527 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
SCHEMBL1342550 0.95 SMN1; SMN2 (0.42) SMN1; SMN2FFAR2CCNE1CDK2CDK5
SCHEMBL1342884 0.93 SMN1; SMN2 (0.44) SMN1; SMN2LCKGAAKMT2AGCK
SCHEMBL1341081 0.88 SMN1; SMN2 (0.42) SMN1; SMN2FFAR2CCNE1CDK2CDK5
SCHEMBL1342514 0.86 CCNE1 (0.46) SMN1; SMN2CCNE1CDK2CDK5GAA
SCHEMBL1340869 0.86 SMN1; SMN2 (0.44) SMN1; SMN2FFAR2LCKGAAKMT2A
SCHEMBL1343650 0.84 SMN1; SMN2 (0.42) SMN1; SMN2LCKGAAKMT2A
SCHEMBL1342470 0.83 CCNE1 (0.48) SMN1; SMN2FFAR2CCNE1CDK2CDK5
SCHEMBL1342968 0.83 MEN1 (0.40) SMN1; SMN2CCNE1CDK2CDK5GAA
SCHEMBL1343288 0.82 SMN1; SMN2 (0.44) SMN1; SMN2CCNE1CDK2CDK5LCK
SCHEMBL1342158 0.81 PKM (0.37) SMN1; SMN2GAAGCK

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