SCHEMBL2650876

SCHEMBL2650876

CC1(c2ccc(/C(=C\C3CCCCCC3)C(=O)Nc3ncc(Br)s3)cc2Cl)N=NN=N1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
GCK P35557 1/20 0.35
SETD1B Q9UPS6 1/20 0.35
FPR3 P25089 6/20 0.34
FPR2 P25090 6/20 0.34
FFAR2 O15552 1/20 0.34
FBP1 P09467 3/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL2650193 0.85 GCK (0.50) SMN1; SMN2GCKNPC1RAB9A
SCHEMBL2649877 0.85 GCK (0.50) SMN1; SMN2GCKNPC1RAB9A
SCHEMBL2650783 0.84 GCK (0.51) SMN1; SMN2GCKNPC1RAB9A
SCHEMBL2657462 0.80 SETD1B (0.35) SMN1; SMN2GCKSETD1BFPR3FPR2
SCHEMBL2657463 0.80 SETD1B (0.35) SMN1; SMN2GCKSETD1BFPR3FPR2
SCHEMBL2650318 0.79 GCK (0.32) GCK
SCHEMBL2650469 0.79 GCK (0.32) GCK
SCHEMBL2649681 0.79 GCK (0.34) SMN1; SMN2GCK
SCHEMBL2650347 0.79 GCK (0.34) SMN1; SMN2GCK
SCHEMBL2650025 0.78 GCK (0.33) GCK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311504-A1 TETRAZOLYL-PHENYL ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP claimed
WO-2002014312-A1 TETRAZOLYL-PHENYL ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO claimed
WO-2006043036-A2 TREATMENT OF DIABETES THE UNIVERSITY OF NEWCASTLE (GB) 2006-04-27 WO disclosed
EP-1311504-A1 TETRAZOLYL-PHENYL ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
WO-2002014312-A1 TETRAZOLYL-PHENYL ACETAMIDE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed