SCHEMBL2651630

SCHEMBL2651630

O=C(c1ccccc1N(C(=O)Nc1ncc(S(=O)(=O)c2nnn[nH]2)s1)N(C(=O)Nc1ncc(S(=O)(=O)c2nnn[nH]2)s1)c1ccc(Cl)cc1C(=O)C1CCCC1)C1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.33
GAA P10253 1/20 0.31
SIRT4 Q9Y6E7 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30

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
SCHEMBL2651631 0.84 CCNE1 (0.35) GRM4GAASIRT4
SCHEMBL1341709 0.82 CCNE1 (0.33) GRM4GAASIRT4
SCHEMBL1341473 0.79 CCNE1 (0.39) CRHBPCRHR2
SCHEMBL2650482 0.78 IDH1 (0.35)
SCHEMBL2651114 0.77
SCHEMBL1343129 0.76 CCNE1 (0.35) GRM4CRHBPCRHR2
SCHEMBL1342422 0.74 CDK2 (0.34) GAACRHBPCRHR2
SCHEMBL1342336 0.73 CCNE1 (0.38) GAA
SCHEMBL1342238 0.73 SMN1; SMN2 (0.35) GAA
SCHEMBL1341950 0.73 MAPT (0.34) GAA

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