SCHEMBL9958142

SCHEMBL9958142

CS(=O)(=O)c1ccc(OC2CCCCC2)cc1.O=C(O)Nc1nccs1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 18/20 0.69
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
STAT3 P40763 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL3604768 0.82 GCK (1.00) GCK
SCHEMBL10230946 0.76 GCK (0.64) GCKMEN1USP2LMNAMAPT
SCHEMBL27669120 0.75 PTGS2 (0.52) GCKMAPTKMT2ASMN1; SMN2
SCHEMBL2668165 0.74 GCK (0.56) GCKMAPTHTT
SCHEMBL2666831 0.73 GCK (0.64) GCKMEN1USP2LMNAMAPT
SCHEMBL2646026 0.73 GCK (0.81) GCKMEN1USP2LMNAMAPT
SCHEMBL2646029 0.73 GCK (0.81) GCKMEN1USP2LMNAMAPT
SCHEMBL2646202 0.73 GCK (0.81) GCKMEN1USP2LMNAMAPT
SCHEMBL2646391 0.73 GCK (0.81) GCKMEN1USP2LMNAMAPT
SCHEMBL2646199 0.73 GCK (0.81) GCKMEN1USP2LMNAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125735-B1 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2012-06-27 EP claimed