SCHEMBL27468583

SCHEMBL27468583

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

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.59
GCK P35557 15/20 0.57
FFAR2 O15552 2/20 0.55
POLB P06746 1/20 0.42
EPHX2 P34913 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
SCHEMBL27548020 0.99 KCNH2 (0.58) KCNH2GCKFFAR2POLBEPHX2
SCHEMBL27467150 0.87 FFAR2 (0.63) KCNH2GCKFFAR2EPHX2
SCHEMBL27465638 0.87 GCK (0.60) KCNH2GCKFFAR2POLBEPHX2
SCHEMBL27482753 0.87 GCK (0.60) KCNH2GCKFFAR2POLBEPHX2
SCHEMBL2658546 0.87 KCNH2 (0.69) KCNH2GCKFFAR2POLBEPHX2
SCHEMBL2646646 0.87 KCNH2 (0.69) KCNH2GCKFFAR2POLBEPHX2
SCHEMBL27466236 0.86 GCK (0.59) KCNH2GCKFFAR2POLBEPHX2
SCHEMBL2646612 0.85 KCNH2 (0.71) KCNH2GCKFFAR2POLBEPHX2
SCHEMBL2659352 0.85 KCNH2 (0.71) KCNH2GCKFFAR2POLBEPHX2
SCHEMBL27482379 0.84 GCK (0.42) KCNH2GCKFFAR2

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