SCHEMBL27465638

SCHEMBL27465638

O=C(Nc1nccs1)C(CC1CCCC1)c1ccc(C[SH](=O)=O)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GCK P35557 14/20 0.60
KCNH2 Q12809 1/20 0.59
FFAR2 O15552 2/20 0.58
EPHX2 P34913 1/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL27467150 0.89 FFAR2 (0.63) GCKKCNH2FFAR2EPHX2
SCHEMBL27482753 0.89 GCK (0.60) GCKKCNH2FFAR2EPHX2POLB
SCHEMBL27466236 0.88 GCK (0.59) GCKKCNH2FFAR2EPHX2POLB
SCHEMBL27468583 0.87 KCNH2 (0.59) GCKKCNH2FFAR2EPHX2POLB
SCHEMBL27548020 0.86 KCNH2 (0.58) GCKKCNH2FFAR2EPHX2POLB
SCHEMBL27548010 0.86 GCK (0.59) GCKKCNH2FFAR2EPHX2POLB
SCHEMBL27480871 0.85 GCK (0.69) GCKKCNH2FFAR2EPHX2POLB
SCHEMBL27481667 0.85 GCK (0.69) GCKKCNH2FFAR2EPHX2POLB
SCHEMBL27548009 0.84 GCK (0.68) GCKKCNH2FFAR2EPHX2POLB
SCHEMBL2645871 0.82 GCK (0.74) GCKKCNH2FFAR2EPHX2POLB

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
CN-1151140-C Glucokinase activators - 2004-05-26 CN claimed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 CN claimed
CN-1151140-C Glucokinase activators - 2004-05-26 CN disclosed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 CN disclosed