SCHEMBL2648958

SCHEMBL2648958

CC1(c2ccc(/C(=C\C3CCCC3)C(=O)Nc3nccs3)cc2C(F)(F)F)N=NN=N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.48
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 2/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 2/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
STAT3 P40763 1/20 0.35

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
SCHEMBL2650444 0.89 GCK (0.50) GCKKDM4EMEN1KMT2ANPC1
SCHEMBL2650518 0.88 POLB (0.40) GCKKDM4EMEN1KMT2ANPC1
SCHEMBL2650783 0.88 GCK (0.51) GCKKDM4EMEN1KMT2ANPC1
SCHEMBL2649877 0.87 GCK (0.50) GCKKDM4EMEN1KMT2ANPC1
SCHEMBL2650193 0.87 GCK (0.50) GCKKDM4EMEN1KMT2ANPC1
SCHEMBL2649100 0.84 GCK (0.56) GCKMEN1KMT2ANPC1RAB9A
SCHEMBL2650706 0.82 TAS1R3 (0.34)
SCHEMBL2646194 0.82 GCK (0.57) GCKKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2646193 0.82 GCK (0.57) GCKKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2646340 0.82 GCK (0.57) GCKKDM4EMEN1KMT2ASMN1; 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 4 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
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