SCHEMBL9070838

SCHEMBL9070838

CC(C)Oc1cc(C(=O)Nc2ccc(C(=O)O)cn2)cc(Oc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.52
RARA P10276 1/20 0.48
RARB P10826 1/20 0.48
RARG P13631 1/20 0.48
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL2667996 0.94 L3MBTL1 (0.54) GCKRARARARBRARGALDH1A1
SCHEMBL2667363 0.94 GCK (0.54) GCKRARARARBRARGL3MBTL1
SCHEMBL9070837 0.88 GCK (0.43) GCKALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9070929 0.87 GCK (0.55) GCKRARARARBRARG
SCHEMBL2667440 0.85 GCK (0.66) GCKRARARARBRARG
SCHEMBL2667519 0.85 PTGDR (0.56) GCKALDH1A1SMN1; SMN2
SCHEMBL2667688 0.84 GCK (0.63) GCKRARARARBRARG
SCHEMBL9071043 0.84 GCK (0.58) GCKRARARARBRARG
SCHEMBL9070933 0.83 GCK (0.58) GCKRARARARBRARG
SCHEMBL9071017 0.83 GCK (0.52) GCKRARGALDH1A1L3MBTL1

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
WO-2009083553-A1 AZINE COMPOUNDS AS GLUCOKINASE ACTIVATORS RHEOSCIENCE A/S (DK) 2009-07-09 WO disclosed