SCHEMBL27465640

SCHEMBL27465640

CNC(=O)NC(=O)C(CC1CCCC1)c1ccc(C[SH](=O)=O)c([N+](=O)[O-])c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 2/20 0.34
▸ KCNH2 Q12809 3/20 0.33
▸ MAPT P10636 6/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ PSMD14 O00487 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ PDK1 Q15118 1/20 0.30

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
SCHEMBL27482768 0.84 KCNH2 (0.42) GCKKCNH2
SCHEMBL27465639 0.84 KCNH2 (0.42) GCKKCNH2
SCHEMBL27465641 0.84 KCNH2 (0.42) GCKKCNH2
SCHEMBL27482381 0.84 KCNH2 (0.35) GCKKCNH2KMT2AMEN1
SCHEMBL2662613 0.84 KCNH2 (0.41) GCKKCNH2MAPTKMT2AMEN1
SCHEMBL2645924 0.84 KCNH2 (0.41) GCKKCNH2MAPTKMT2AMEN1
SCHEMBL27467644 0.84 SLC6A3 (0.40) GCKMAPTALDH1A1
SCHEMBL27482764 0.84 CYP1A2 (0.34) MAPTKMT2APSMD14MEN1MAPK1
SCHEMBL27481679 0.83 MAPT (0.36) MAPTKMT2APSMD14MEN1L3MBTL1
SCHEMBL2646367 0.82 KCNH2 (0.47) GCKKCNH2MAPTKMT2AMEN1

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
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