SCHEMBL2652479

SCHEMBL2652479

CCCOc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2cnccn2)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.64
CHRNB4 P30926 1/20 0.64
CHRNA3 P32297 1/20 0.64
CHRNA4 P43681 1/20 0.64
GCK P35557 18/20 0.58
KCNH2 Q12809 1/20 0.49
TSHR P16473 1/20 0.47

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
SCHEMBL2653355 0.87 GCK (0.58) GCKKCNH2
SCHEMBL2652474 0.85 GCK (0.73) GCKKCNH2
SCHEMBL2651070 0.83 GCK (0.55) GCKKCNH2
SCHEMBL2651431 0.78 GCK (0.53) GCKKCNH2
SCHEMBL2650224 0.78 PLA2G2A (0.52) GCKKCNH2
SCHEMBL2664611 0.76 TSHR (0.72) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL944845 0.76 GCK (0.60) GCKKCNH2
SCHEMBL944606 0.75 GCK (0.49) CHRNB2CHRNB4CHRNA3CHRNA4GCK
SCHEMBL16473218 0.75 GCK (0.81) GCKKCNH2
SCHEMBL28079725 0.74 GCK (0.72) GCKKCNH2

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-1718625-A1 COMPOUNDS AstraZeneca AB (SE) 2006-11-08 EP disclosed
WO-2005080360-A1 COMPOUNDS ASTRAZENECA AB (SE) 2005-09-01 WO disclosed