SCHEMBL27548009

SCHEMBL27548009

O=C(Nc1nccs1)C(CC1CCCCC1)c1ccc(C[SH](=O)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 9/20 0.68
▸ FFAR2 O15552 5/20 0.66
▸ KCNH2 Q12809 1/20 0.59
▸ POLB P06746 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ LMNA P02545 1/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL27481667 0.99 GCK (0.69) GCKFFAR2KCNH2POLBEPHX2
SCHEMBL27480871 0.99 GCK (0.69) GCKFFAR2KCNH2POLBEPHX2
SCHEMBL9071103 0.90 GCK (0.73) GCKFFAR2KCNH2POLBEPHX2
SCHEMBL2644739 0.85 GCK (0.76) GCKFFAR2KCNH2POLBEPHX2
SCHEMBL27466235 0.85 GCK (0.69) GCKFFAR2KCNH2POLBEPHX2
SCHEMBL2645293 0.84 GCK (0.74) GCKFFAR2KCNH2POLBEPHX2
SCHEMBL2659048 0.84 GCK (0.77) GCKFFAR2KCNH2POLBEPHX2
SCHEMBL2646757 0.84 FFAR2 (0.91) GCKFFAR2KCNH2EPHX2LMNA
SCHEMBL2645871 0.84 GCK (0.74) GCKFFAR2KCNH2POLBEPHX2
SCHEMBL2654951 0.84 GCK (0.74) GCKFFAR2KCNH2POLBEPHX2

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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