SCHEMBL2653355

SCHEMBL2653355

CCCOc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2ccccn2)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.58
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA9 Q16790 1/20 0.53
RXFP1 Q9HBX9 1/20 0.50
KCNH2 Q12809 1/20 0.50
CYP2C9 P11712 1/20 0.49

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
SCHEMBL2652479 0.87 CHRNB2 (0.64) GCKKCNH2
SCHEMBL2653351 0.85 GCK (0.74) GCKRXFP1KCNH2
SCHEMBL3608863 0.84 GCK (0.64) GCKKCNH2
SCHEMBL3595155 0.84 GCK (0.70) GCKKCNH2
SCHEMBL2651070 0.83 GCK (0.55) GCKKCNH2
SCHEMBL2651431 0.79 GCK (0.53) GCKCA12CA1CA9KCNH2
SCHEMBL2650224 0.79 PLA2G2A (0.52) GCKCA12CA1CA9KCNH2
SCHEMBL945735 0.75 GCK (0.61) GCKKCNH2
SCHEMBL15062252 0.75 GCK (0.50) GCKKCNH2
SCHEMBL1724732 0.75 GCK (0.75) GCKCA12CA1CA9KCNH2

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