SCHEMBL2656217

SCHEMBL2656217

CC(C(=O)Nc1nccs1)C1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 5/20 0.53
▸ ALOX5 P09917 3/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ FFAR2 O15552 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HSPA9 P38646 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSPA5 P11021 1/20 0.46
▸ NPC1 O15118 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
SCHEMBL2667092 0.81 GCK (0.63) GCKALOX15FFAR2LMNATSHR
SCHEMBL1107000 0.75 ADORA2A (0.68) FFAR2LMNATSHRHSPA9MEN1
SCHEMBL2654208 0.74 GCK (0.47) GCKFFAR2LMNASMN1; SMN2HSPA9
SCHEMBL2661212 0.74 GCK (0.48) GCKFFAR2LMNASMN1; SMN2HSPA9
SCHEMBL2651674 0.73 LMNA (0.46) GCKFFAR2LMNAHSPA9MEN1
SCHEMBL2661654 0.73 GCK (0.48) GCKFFAR2LMNASMN1; SMN2HSPA9
SCHEMBL2662039 0.73 LMNA (0.45) GCKLMNASMN1; SMN2HSPA9MEN1
SCHEMBL27891187 0.72 FFAR2 (0.62) FFAR2LMNASMN1; SMN2TSHRHSPA9
SCHEMBL2652650 0.71 LMNA (0.52) GCKLMNASMN1; SMN2TSHRMEN1
SCHEMBL7868161 0.71 MEN1 (0.62) GCKFFAR2SMN1; SMN2TSHRMEN1

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
EP-2001875-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2008-12-17 — — EP claimed
WO-2007104034-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-09-13 — — WO claimed
EP-2001875-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2008-12-17 — — EP disclosed
WO-2007104034-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-09-13 — — WO disclosed
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